双硫脲

  • 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

双硫脲 基本信息

中文名称:
双硫脲 
中文别名:
2,5-二硫代联二脲;
2,5-二硫代脲;
双硫脲;
1,2-二(氨基硫代甲酰)肼;
2,5-二硫二脲 
英文名称:
1,2-Hydrazinedicarbothioamide
英文别名:
Hydrazodicarbothioamide;
N,N'-bis-(amidothiocarbonyl)-hydrazine;
hydrazodithiocarbamide;
DITHIODIUREA;
2,5-dithiourea;
usafek-p-6281;
usafb-44;
DITHIOUREA;
bithiourea;
usafb-55;
bisthiourea;
2,5-Dithiobiurea;
1-thiocarbamoylthiosemicarbazide;
2,5-dithiobiurea;
DITHIOBIUREA 
CAS No.:
142-46-1
分 子 式:

C2H6N4S2

分 子 量:
150.23
精确分子量:
150.00300
PSA:
140.28000
MDL:
MFCD00014471
EINECS:
205-537-6
BRN:
1723178
InChI:
InChI=1/C2H6N4S2/c3-1(7)5-6-2(4)8/h(H3,3,5,7)(H3,4,6,8)
危险品标志:

 

风险术语:

R36/37/38 

安全术语:

S26;S37/39

分子结构式:
SDS:
查看

双硫脲 制备方法及用途

制备方法

其制备方法是在反应釜中于搅拌下投入湿基硫酸肼,加入催化剂少量,然后再投入硫氰酸铵,开夹套蒸汽加热回流3.5h,冷却,放料,过滤,用水洗涤,真空吸滤至干,得成品。

合成制备方法

1.硫酸肼和硫氰酸胺经缩合、重排出得。

2.其制备方法是在反应釜中于搅拌下投入湿基硫酸肼,加入催化剂少量,然后再投入硫氰酸铵,开夹套蒸汽加热回流3.5h,冷却,放料,过滤,用水洗涤,真空吸滤至干,得成品。

用途简介

医药及农药中间体。

用途

双硫脲是杀菌剂叶枯唑的中间体。农药和医药中间体。

双硫脲 物化性质

外观与性状:
灰白色结晶粉末
密度:
1.556g/cm3
熔点:
212 °C (dec.)(lit.)
沸点:
291.6°C at 760 mmHg
闪点:
130.1ºC
折射率:
1.771
蒸汽压:
0.00193mmHg at 25°C
存储条件/存储方法:
库房通风低温干燥,与氧化剂、酸类分开存放
稳定性相关:

常温常压下稳定。

禁配物:强氧化剂

其它信息:

一、物性数据:

1.     性状:白色至类白色结晶粉末

2.       熔点(ºC):212ºC(分解) 

 3.       溶解性:几乎不溶于水,溶于热水。

双硫脲 安全信息

海关代码:
2930909090
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R36/37/38
安全说明:
S26-S37/39
RTECS号:
EC1460000
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。
:
危险标志:
Xi:Irritant;

双硫脲 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EC1460000
CHEMICAL NAME :
Biurea, 2,5-dithio-
CAS REGISTRY NUMBER :
142-46-1
BEILSTEIN REFERENCE NO. :
1723178
LAST UPDATED :
199701
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C2-H6-N4-S2
MOLECULAR WEIGHT :
150.24
WISWESSER LINE NOTATION :
SUYZMMYZUS

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
655 gm/kg/78W-C
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1310 gm/kg/78W-C
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - tumors

MUTATION DATA

TYPE OF TEST :
Sister chromatid exchange
TEST SYSTEM :
Rodent - hamster Ovary
DOSE/DURATION :
145 mg/L
REFERENCE :
EMMUEG Environmental and Molecular Mutagenesis. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.10- 1987- Volume(issue)/page/year: 10(Suppl 10),1,1987
毒理学数据:

二、毒理学数据:

1、急性毒性:大鼠经口LD>500 mg/kg

             小鼠腹腔LC50100 mg/kg

2、   慢性毒性/致癌性

小鼠经口LDLo655 mg/kg/78W-C

小鼠经口TD1310 mg/kg/78W-C

生态数据:

三、生态学数据:

其它有害作用:该物质对环境可能有危害,对水体应给予特别注意。

双硫脲 MSDS

Name: 2 5-Dithiobiurea 99% Material Safety Data Sheet
Synonym: Bisthiocarbamyl Hydrazine; N,N'-Bisthiocarbamyl Hydrazine
CAS: 142-46-1
Section 1 - Chemical Product   MSDS Name:2 5-Dithiobiurea 99% Material Safety Data Sheet
Synonym:Bisthiocarbamyl Hydrazine; N,N'-Bisthiocarbamyl Hydrazine

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
142-46-1 2,5-Dithiobiurea 99 205-537-6
Hazard Symbols: T
Risk Phrases: 23/24/25 43 45

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Toxic by inhalation, in contact with skin and if swallowed. May cause sensitization by skin contact. May cause cancer.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May cause skin sensitization, an allergic reaction, which becomes evident upon re-exposure to this material.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
Repeated or prolonged exposure may cause allergic reactions in sensitive individuals.

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.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Destroy contaminated shoes.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
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.
Extinguishing Media:
Use agent most appropriate to extinguish fire. 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:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 142-46-1: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
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: Powder
Color: white
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 200.00 - 203.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: negligible
Specific Gravity/Density:
Molecular Formula: C2H6N4S2
Molecular Weight: 150.22

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, hydrogen sulfide, sulfur oxides (SOx), including sulfur oxide and sulfur dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 142-46-1: EC1460000 LD50/LC50:
Not available.
Carcinogenicity:
2,5-Dithiobiurea - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T
Risk Phrases:
R 45 May cause cancer.
R 23/24/25 Toxic by inhalation, in contact with skin
and if swallowed.
R 43 May cause sensitization by skin contact.
Safety Phrases:
S 53 Avoid exposure - obtain special instructions
before use.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
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# 142-46-1: No information available.
Canada
CAS# 142-46-1 is listed on Canada's NDSL List.
CAS# 142-46-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 142-46-1 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

双硫脲 海关数据

中国海关编码:2930909090

概述:
2930909090. 其他有机硫化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 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
摘要/Summary:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

双硫脲 分子结构与计算化学数据

分子结构数据

 

五、分子性质数据:

1、  摩尔折射率:40.15

2、  摩尔体积(m3/mol):96.5

3、  等张比容(90.2K):318.8

4、  表面张力(dyne/cm):119.0

5、  极化率10-24cm3):15.91

计算化学数据

1.疏水参数计算参考值(XlogP):-0.9

2.氢键供体数量:4

3.氢键受体数量:2

4.可旋转化学键数量:0

5.互变异构体数量:6

6.拓扑分子极性表面积140

7.重原子数量:8

8.表面电荷:0

9.复杂度:96.6

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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