2-氯-5-硝基苯甲酸

  • 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

2-氯-5-硝基苯甲酸 基本信息

中文名称:
2-氯-5-硝基苯甲酸 
中文别名:
2-氯-5-硝基苯甲酸;
5-硝基邻氯苯甲酸;
美沙拉嗪杂质M 
英文名称:
2-Chloro-5-nitrobenzoic acid
英文别名:
2-Chloro-5-nitrobenzoic acid;
2-Chlor-5-nitro-benzoesaeure;
2-chloro-5-nitrobenzoyl alcohol;
2-Chloro-5-nitrobenzoicacid;
2-chloro-5-nitro-benzoicaci;
DIETHYL AZELATE,TECH.;
2-carboxy-4-nitro-chlorobenzene;
2-chloro-5-nitro-benzoic acid;
5-NITRO-2-CHLOROBENZOIC ACID;
2-Chlor-5-nitrobenzoesure;
2-Chloro-5-nitrobenzoic;
RARECHEM AL BO 0234;
6-Chloro-3-nitrobenzoic acid;
2,5-CNBA 
CAS No.:
2516-96-3
分 子 式:

C7H4ClNO4

分 子 量:
201.57
精确分子量:
200.98300
PSA:
83.12000
MDL:
MFCD00007294
EINECS:
219-739-7
BRN:
1877474
InChI:
InChI=1/C7H4ClNO4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,(H,10,11)/p-1
危险品标志:

IrritantXi

风险术语:

R36/37/38

安全术语:

S24/25

分子结构式:
SDS:
查看

2-氯-5-硝基苯甲酸 制备方法及用途

制备方法

由邻氯苯甲酸经硝化而得。将邻氯苯甲酸、硫酸冷却至0℃以下,然后加混酸,在0℃下进行硝化,反应8h后,加热至60℃,再倒入冰水中析出硝基物,再结晶即得成品。

合成制备方法

由邻氯苯甲酸经硝化而得。将邻氯苯甲酸、硫酸冷却至0以下,然后加混酸,在0下进行硝化,反应8h后,加热至60,再倒入冰水中析出硝基物,再结晶即得成品。

用途简介

用作农药、医药中间体。

用途

用作农药、医药、有机颜料中间体用于合成2--5-氨基苯甲酸、5-硝基水杨酸及其酯类、酰胺类中间体。

2-氯-5-硝基苯甲酸 物化性质

外观与性状:
黄色至褐色结晶粉末
密度:
1.6
熔点:
165-168 °C(lit.)
沸点:
356.5ºC at 760mmHg
闪点:
>100°C
折射率:
1.627
蒸汽压:
1.06E-05mmHg at 25°C
存储条件/存储方法:

保持容器密封,放入紧密的出藏器内,储存在阴凉,干燥的地方     

稳定性相关:

常温常压下稳定,避免氧化剂接触

其它信息:

1.     性状:带白色的粉末

2.     密度(g/mL,,20℃):1.608

3.     相对蒸汽密度(g/mL,空气=1):未确定

4.     熔点(ºC):166-168

5.     沸点(ºC,常压):未确定

6.     沸点(ºC758mmHg):未确定

7.     折射率n20/D):未确定

8.     闪点(ºC)>100

9.     比旋光度():未确定

10.  自燃点或引燃温度(ºC):未确定

11.  蒸气压(Pa,20ºC):未确定

12.  饱和蒸气压(kPa,0ºC):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:稍微可溶解的

2-氯-5-硝基苯甲酸 安全信息

海关代码:
2916399090
WGK_Germany:
1
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-S39-S61-S24/25
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。
S39:佩戴眼/面防护装置。
S61:避免排放到环境中。参考专门的说明/安全数据表。
危险标志:
Xi:Irritant

2-氯-5-硝基苯甲酸 毒理性

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

2-氯-5-硝基苯甲酸 MSDS

Name: 2-Chloro-5-nitrobenzoic acid 99+%(gc) Material Safety Data Sheet
Synonym:
CAS: 2516-96-3
Section 1 - Chemical Product   MSDS Name:2-Chloro-5-nitrobenzoic acid 99+%(gc) Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
2516-96-3 2-Chloro-5-nitrobenzoic acid 99+(GC) 219-739-7
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
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:
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. 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.
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 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:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. 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:
Keep container closed when not in use. 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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 2516-96-3: 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:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Powder
Color: off-white
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 166.00 - 168.00 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature:
Solubility in water: insoluble
Specific Gravity/Density:
Molecular Formula: C7H4ClNO4
Molecular Weight: 201.57

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, carbon dioxide, nitrogen.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 2516-96-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Chloro-5-nitrobenzoic acid - Not listed by ACGIH, IARC, or NTP.

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: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
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# 2516-96-3: 1
Canada
CAS# 2516-96-3 is listed on Canada's NDSL List.
CAS# 2516-96-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2516-96-3 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

2-氯-5-硝基苯甲酸 海关数据

中国海关编码:2916399090

概述:
2916399090 其他芳香一元羧酸. 增值税率:17.0% 退税率:9.0% 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, 丙烯酸、丙烯酸盐或酯应报明包装
摘要/Summary:
2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

2-氯-5-硝基苯甲酸 分子结构与计算化学数据

分子结构数据

1  摩尔折射率:44.62

2  摩尔体积(m3/mol):125.7

3  等张比容(90.2K):360.7

4  表面张力(dyne/cm):67.7

5极化率(10-24cm3):17.69

计算化学数据

1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:1

3.氢键受体数量:4

4.可旋转化学键数量:1

5.互变异构体数量:无

6.拓扑分子极性表面积83.1

7.重原子数量:13

8.表面电荷:0

9.复杂度:227

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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