氯磷酸二乙酯

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 上游产品
  • 下游产品
  • 表征图谱

氯磷酸二乙酯 基本信息

中文名称:
氯磷酸二乙酯 
中文别名:
氯磷酸二乙酯;
氯膦酸二乙基酯;
O,O-二乙基磷酰氯 
英文名称:
Phosphorochloridicacid, diethyl ester
英文别名:
Diethyl chlorophosphate;
1-[chloro(ethoxy)phosphoryl]oxyethane 
CAS No.:
814-49-3
分 子 式:

C4H10ClO3P

分 子 量:
172.55
精确分子量:
172.00600
PSA:
45.34000
MDL:
MFCD00009075
EINECS:
212-396-4
BRN:
471433
InChI:
InChI=1/C4H10ClO3P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3
危险品标志:

风险术语:

R26/27/28;R33   

安全术语:

S28A;S36/37/39;S38;S45

分子结构式:
SDS:
查看

氯磷酸二乙酯 制备方法及用途

制备方法

1.O,O-二乙基磷酰氯的合成方法常用的有两种:一种是乙醇与三氯化磷先酯化,生成亚磷酸二乙酯,再用氯气氯化;另一种是用乙醇和三氯氧磷一步合成。一般采用第一种方法。在装有搅拌器、温度计、滴液漏斗的500mL三口瓶中加入工业酒精70g,在冰盐浴中冷却至5℃以下,启动真空汞,使真空度达到80 kPa,于液面下滴加三氯化磷72g,滴加完毕,立即通氯气氯化,真空度可适当降低。通氯气约0.5h后,反应液由无色变为黄绿色,反应温度明显下降,即为反应终点。停止通氯气,提高真空度,缓慢升温,并通入干燥空气,鼓泡排除过量氯气和反应生成的氯化氢,即得产品80~90g,收率、含量均在85%以上。 2.将亚磷酸二乙酯溶于四氯化碳,冷至0℃,搅拌下加入三乙胺,反应15min。升至室温,继续搅拌反应3h。过滤,滤液在室温减压至2.67kPa,蒸出低沸物,然后减压蒸馏,收集58-60℃(0.266kPa)馏分,得氯磷酸二乙酯。收率81%。 3.通过亚磷酸三乙酯与四氯化碳、三甲胺的碘化盐在苯中直接反应制备而成 。 4.制法: 于装有搅拌器、温度计、滴液漏斗的反应瓶中,加入亚磷酸二乙酯(2)27.6g(0.2mol),四氯化碳35mL(0.4mol),冷至0℃,慢慢滴加三乙胺3.2mL(0.023mol)。加完后于0℃反应15min。室温搅拌反应3h。过滤,先室温减压(2.67kPa)蒸出挥发性物质,而后收集64℃/0.798~0.931kPa的馏分,得化合物(1)28g,收率81%。 5.制法: 于装有搅拌器、温度计、通气导管的反应瓶中,加入亚磷酸二乙酯(2)138g(1.0mol),冰盐浴冷却,搅拌下慢慢通入氯气,通入速度以保持反应液温度不超过5℃为宜,约需2~3h。当反应液因溶解游离氯而呈淡黄色时,停止通氯。将反应液转入蒸馏瓶中,安上短分馏柱进行分馏。开始减压时,由于氯化氢和氯气的逸出而剧烈发泡,平稳后开始加热,收集103~104.5℃/2.67kPa的馏分,得化合物(1),收率80%~90%。产品蒸出后,蒸馏瓶中温度迅速升高,压力增大,表明发生了分解,应立即停止加热。 6.制法: 于装有搅拌器、温度计、滴液漏斗、回流冷凝器(连接气体吸收装置)的反应瓶中,加入亚磷酸二乙酯(2)46g(0.4mol),100mL干燥的苯,慢慢滴加硫酰氯54g(0.4mol),反应放热,控制反应液温度在25~30℃。反应结束后,将反应物转入蒸馏瓶中,水泵减压蒸出挥发性物质后,油泵减压蒸馏,收集89~90℃/2.0kPa的馏分,得化合物(1)。

合成制备方法

1.O,O-二乙基磷酰氯的合成方法常用的有两种:一种是乙醇与三氯化磷先酯化,生成亚磷酸二乙酯,再用氯气氯化;另一种是用乙醇和三氯氧磷一步合成。一般采用第一种方法。在装有搅拌器、温度计、滴液漏斗的500mL三口瓶中加入工业酒精70g,在冰盐浴中冷却至5℃以下,启动真空汞,使真空度达到80 kPa,于液面下滴加三氯化磷72g,滴加完毕,立即通氯气氯化,真空度可适当降低。通氯气约0.5h后,反应液由无色变为黄绿色,反应温度明显下降,即为反应终点。停止通氯气,提高真空度,缓慢升温,并通入干燥空气,鼓泡排除过量氯气和反应生成的氯化氢,即得产品80~90g,收率、含量均在85%以上。

2.将亚磷酸二乙酯溶于四氯化碳,冷至0℃,搅拌下加入三乙胺,反应15min。升至室温,继续搅拌反应3h。过滤,滤液在室温减压至2.67kPa,蒸出低沸物,然后减压蒸馏,收集58-60℃(0.266kPa)馏分,得氯磷酸二乙酯。收率81%。

3.通过亚磷酸三乙酯与四氯化碳、三甲胺的碘化盐在苯中直接反应制备而成[1]

4.制法:

于装有搅拌器、温度计、滴液漏斗的反应瓶中,加入亚磷酸二乙酯(2)27.6g(0.2mol),四氯化碳35mL(0.4mol),冷至0℃,慢慢滴加三乙胺3.2mL(0.023mol)。加完后于0℃反应15min。室温搅拌反应3h。过滤,先室温减压(2.67kPa)蒸出挥发性物质,而后收集64℃/0.798~0.931kPa的馏分,得化合物(1)28g,收率81%。[2]

5.制法:

于装有搅拌器、温度计、通气导管的反应瓶中,加入亚磷酸二乙酯(2)138g(1.0mol),冰盐浴冷却,搅拌下慢慢通入氯气,通入速度以保持反应液温度不超过5℃为宜,约需2~3h。当反应液因溶解游离氯而呈淡黄色时,停止通氯。将反应液转入蒸馏瓶中,安上短分馏柱进行分馏。开始减压时,由于氯化氢和氯气的逸出而剧烈发泡,平稳后开始加热,收集103~104.5℃/2.67kPa的馏分,得化合物(1),收率80%~90%。产品蒸出后,蒸馏瓶中温度迅速升高,压力增大,表明发生了分解,应立即停止加热。[3]

6.制法:

于装有搅拌器、温度计、滴液漏斗、回流冷凝器(连接气体吸收装置)的反应瓶中,加入亚磷酸二乙酯(2)46g(0.4mol),100mL干燥的苯,慢慢滴加硫酰氯54g(0.4mol),反应放热,控制反应液温度在25~30℃。反应结束后,将反应物转入蒸馏瓶中,水泵减压蒸出挥发性物质后,油泵减压蒸馏,收集89~90℃/2.0kPa的馏分,得化合物(1)。[4]

用途简介

1.有机合成中间体。用作医药中间体O,O-二乙基磷酰氯是杀虫剂乙基硫环磷(棉安磷)、稻棉磷(地胺磷)的中间体。 2.二乙基磷酰氯是有机化学中常用的磷酸化试剂 ,多用于合成β-羰基膦酸酯 以及用于活化羧基后进一步合成各种羧酸衍生物 。 磷酸化反应 在比较温和的反应条件下,二乙基磷酰氯可以与醇 、酚 、硫酚、苯胺、核苷等化合物反应生成相应的磷酸酯。底物几乎能够定量发生磷酸化,但由于反应的选择性不佳,在大多数情况下分子内的敏感基团需要保护。但在下列反应中,当加入等当量二乙基磷酰氯时,由于空间位阻的原因只在一级醇羟基上发生磷酸化反应 (式1)。 合成磷酸酯和膦酸酯 在经过强碱 (如LDA, NaH) 作用下,酮可以转化为相应的烯醇式,而后与二乙基磷酰氯反应即可定量地转化为磷酸酯。这种磷酸酯可进一步在碱的作用下生成β-羰基膦酸酯 (式2) ,但这种磷酸酯在不同条件下也可转化为其它化合物 。具有吸电子基和α-氢结构的化合物,如砜 、噻吩 等也能在类似的条件下转化为膦酸酯。也可用格氏试剂与二乙基磷酰氯反应制备膦酸酯 。 用于羧酸衍生物的转化 二乙基磷酰氯能够活化羧基合成酰胺 (式3) 、酯和硫酯等。

用途

1.有机合成中间体。用作医药中间体O,O-二乙基磷酰氯是杀虫剂乙基硫环磷(棉安磷)、稻棉磷(地胺磷)的中间体。

2.二乙基磷酰氯是有机化学中常用的磷酸化试剂[1,2],多用于合成β-羰基膦酸酯[3~7]以及用于活化羧基后进一步合成各种羧酸衍生物[8]

磷酸化反应  在比较温和的反应条件下,二乙基磷酰氯可以与醇[1]、酚[2]、硫酚、苯胺、核苷等化合物反应生成相应的磷酸酯。底物几乎能够定量发生磷酸化,但由于反应的选择性不佳,在大多数情况下分子内的敏感基团需要保护。但在下列反应中,当加入等当量二乙基磷酰氯时,由于空间位阻的原因只在一级醇羟基上发生磷酸化反应 (式1)。

合成磷酸酯和膦酸酯  在经过强碱 (如LDA, NaH) 作用下,酮可以转化为相应的烯醇式,而后与二乙基磷酰氯反应即可定量地转化为磷酸酯。这种磷酸酯可进一步在碱的作用下生成β-羰基膦酸酯 (式2)[3,4],但这种磷酸酯在不同条件下也可转化为其它化合物[9]。具有吸电子基和α-氢结构的化合物,如砜[5]、噻吩[7]等也能在类似的条件下转化为膦酸酯。也可用格氏试剂与二乙基磷酰氯反应制备膦酸酯[7]

用于羧酸衍生物的转化  二乙基磷酰氯能够活化羧基合成酰胺 (式3)[8]、酯和硫酯等。

氯磷酸二乙酯 物化性质

外观与性状:
水白色液体
密度:
1.194 g/mL at 25 °C(lit.)
沸点:
60 °C2 mm Hg(lit.)
闪点:
142 °F
折射率:
n20/D 1.416(lit.)
蒸汽密度:
5.94 (vs air)
存储条件/存储方法:

保持容器密封,储存在阴凉,干燥的地方。

稳定性相关:

1.常温常压下稳定,避免强氧化剂 水分 空气接触。

2.腐蚀性强,剧毒,一般在通风橱中进行操作。

3.有刺激性恶臭味。置潮湿空气中冒烟,与水猛烈地反应。

其它信息:

1.       性状:纯品为油状液体

2.       密度(g/mL,25/4℃):1.194 g/mL 

3.       相对蒸汽密度(g/mL,空气=1):5.94

4.       熔点(ºC):未确定

5.       沸点(ºC,常压):未确定

6.       沸点(ºC, 1.60kPa):86 °C

7.       折射率:n20/D 1.416

8.       闪点(ºF):142 °F

9.       比旋光度(º):未确定

10.    自燃点或引燃温度(ºC):未确定

11.    蒸气压(kPa,25ºC):0.1 mm Hg

12.    饱和蒸气压(kPa,60ºC):未确定

13.    燃烧热(KJ/mol):未确定

14.    临界温度(ºC):未确定

15.    临界压力(KPa):未确定

16.    油水(辛醇/水)分配系数的对数值:未确定

17.    爆炸上限(%,V/V):未确定

18.    爆炸下限(%,V/V):未确定

19.    溶解性:溶于苯等有机溶剂。

氯磷酸二乙酯 安全信息

包装等级:
II
风险类别:
6.1(a)
海关代码:
2919900090
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R26/27/28;R33
安全说明:
S26-S36/37/39-S45-S38-S28A
RTECS号:
TD1400000
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
S45:出现意外或者感到不适,立刻到医生那里寻求帮助(最好带去产品容器标签)。
:
危险标志:
T+:Verytoxic;

氯磷酸二乙酯 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TD1400000
CHEMICAL NAME :
Phosphorochloridic acid, diethyl ester
CAS REGISTRY NUMBER :
814-49-3
BEILSTEIN REFERENCE NO. :
0471433
LAST UPDATED :
199710
DATA ITEMS CITED :
12
MOLECULAR FORMULA :
C4-H10-Cl-O3-P
MOLECULAR WEIGHT :
172.56
WISWESSER LINE NOTATION :
2OPO&GO2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Open irritation test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,1142,1986 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
11 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
25 mg/kg
TOXIC EFFECTS :
Behavioral - altered sleep time (including change in righting reflex) Behavioral - tremor Behavioral - convulsions or effect on seizure threshold
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0570912
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Skin and Appendages - hair
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0570912
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
50 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - tremor Behavioral - convulsions or effect on seizure threshold
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0570912
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
8 uL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962 *** REVIEWS *** TOXICOLOGY REVIEW CHREAY Chemical Reviews. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1924- Volume(issue)/page/year: 48,225,1951 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M4014 No. of Facilities: 24 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 47 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M4014 No. of Facilities: 17 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 919 (estimated) No. of Female Employees: 306 (estimated)
毒理学数据:

1、急性毒性:小鼠口经LD50:100 mg/kg;大鼠LD50:11mg/kg;大鼠腹腔LD50:25mg/kg
生态数据:

对水是稍微有害的,不要让未稀释或大量的产品接触地下水,水道或者污水系统,若无政府许可,勿将材料排入周围环境。

氯磷酸二乙酯 MSDS

Name: Diethyl chlorophosphate 95% Material Safety Data Sheet
Synonym: O,O-Diethyl phosphorochloridate; Diethyl phosphorochloridate
CAS: 814-49-3
Section 1 - Chemical Product   MSDS Name:Diethyl chlorophosphate 95% Material Safety Data Sheet
Synonym:O,O-Diethyl phosphorochloridate; Diethyl phosphorochloridate

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
814-49-3 Diethyl chlorophosphate 95 212-396-4
Hazard Symbols: T+
Risk Phrases: 26/27/28 33

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Very toxic by inhalation, in contact with skin and if swallowed.
Danger of cumulative effects.
Potential Health Effects
Eye:
May cause eye irritation. Contact of the eye with the undiluted compound may result in death.
Skin:
May cause skin irritation. May be fatal if absorbed through the skin.
Ingestion:
May be fatal if swallowed. May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
May cause respiratory tract irritation. Aspiration may cause respiratory swelling and pneumonitis.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
  Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid immediately. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Wash clothing before reuse.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid immediately. Induce vomiting only when instructed to do so by a physician.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Do NOT use mouth-to-mouth resuscitation.
Notes to Physician:

Section 5 - FIRE FIGHTING MEASURES
  General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Use water spray to keep fire-exposed containers cool. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Discard contaminated shoes. Use only with adequate ventilation. Keep away from heat and flame. Do not breathe vapor or mist.
Storage:
Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from moisture.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Exposure Limits CAS# 814-49-3: Personal Protective Equipment Eyes: Wear chemical splash goggles.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Liquid
Color: clear colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: 0.1 mm Hg @ 25 deg C
Viscosity: Not available.
Boiling Point: 81 deg C @ 6 mm Hg
Freezing/Melting Point: -60 deg C
Autoignition Temperature: Not available.
Flash Point: 61 deg C ( 141.80 deg F)
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature: 120 deg C
Solubility in water: Decomposes.
Specific Gravity/Density: 1.1940 g/cm3
Molecular Formula: C4H10ClO3P
Molecular Weight: 172.55

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Not available.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases, chloride fumes, phosphorous fumes.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 814-49-3: TD1400000 LD50/LC50:
CAS# 814-49-3: Draize test, rabbit, skin: 500 mg/24H Mild; Oral, mouse: LD50 = 100 mg/kg; Oral, rat: LD50 = 11 mg/kg; Skin, rabbit: LD50 = 8 uL/kg.
Carcinogenicity:
Diethyl chlorophosphate - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
 

Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
 
IATA
Shipping Name: ORGANOPHOSPHORUS COMPOUND, LIQUID, TOXIC, N.O.S.*
Hazard Class: 6.1
UN Number: 3278
Packing Group: II
IMO
Shipping Name: ORGANOPHOSPHORUS COMPOUND, TOXIC, N.O.S.
Hazard Class: 6.1
UN Number: 3278
Packing Group: II
RID/ADR
Shipping Name: ORGANOPHOSPHORUS COMPOUND, TOXIC, N.O.S.
Hazard Class: 6.1
UN Number: 3278
Packing group: II

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T+
Risk Phrases:
R 26/27/28 Very toxic by inhalation, in contact with
skin and if swallowed.
R 33 Danger of cumulative effects.
Safety Phrases:
S 28A After contact with skin, wash immediately with
plenty of water.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 38 In case of insufficient ventilation, wear
suitable respiratory equipment.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 814-49-3: No information available.
Canada
CAS# 814-49-3 is listed on Canada's NDSL List.
CAS# 814-49-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 814-49-3 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

氯磷酸二乙酯 海关数据

中国海关编码:2919900090

概述:
HS:2919900090 其他磷酸酯及其盐(包括乳磷酸盐)(包括它们的卤化,磺化,硝化和亚硝化衍生物) 增值税率:17.0% 退税率:9.0% 监管条件:AB(入境货物通关单,出境货物通关单) 最惠国关税:6.5% 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
监管条件:
A.入境货物通关单B.出境货物通关单
检验检疫:
R.进口食品卫生监督检验S.出口食品卫生监督检验M.进口商品检验N.出口商品检验
摘要/Summary:
2919900090 other phosphoric esters and their salts, including lactophosphates; their halogenated, sulphonated, nitrated or nitrosated derivatives。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:6.5%。general tariff:30.0%

氯磷酸二乙酯 分子结构与计算化学数据

分子结构数据

1、   摩尔折射率:35.79

2、   摩尔体积(cm3/mol):142.8

3、   等张比容(90.2K):341.1

4、   表面张力(dyne/cm):32.5

5、   介电常数:

6、   偶极距(10-24cm3):

7、   极化率:14.18

计算化学数据

1.疏水参数计算参考值(XlogP):1

2.氢键供体数量:0

3.氢键受体数量:3

4.可旋转化学键数量:4

5.互变异构体数量:无

6.拓扑分子极性表面积35.5

7.重原子数量:9

8.表面电荷:0

9.复杂度:106

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

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