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4-氯-3-硝基苯甲酸

4-氯-3-硝基苯甲酸用途

【用途一】
用作医药中间体
【用途二】
有机合成中间体，用于染料和医药的生产制造药物甲基咪唑。
【用途三】
有机合成中间体,用于染料和医药生产,化工产品起始原料。

4-氯-3-硝基苯甲酸名称

[ CAS 号 ]:
96-99-1

[ 中文名 ]:
4-氯-3-硝基苯甲酸

[ 英文名 ]:
4-Chloro-3-nitrobenzoic acid

[中文别名 ]:

[英文别名 ]:

4-Chloro-3-nitrobenzoic acid
MFCD00007079
Benzoic acid, 4-chloro-3-nitro-
EINECS 202-550-9
3-Nitro-4-chlorobenzoic acid

4-氯-3-硝基苯甲酸物理化学性质

[ 密度 ]:
1.6±0.1 g/cm3

[ 沸点 ]:
371.6±27.0 °C at 760 mmHg

[ 熔点 ]:
180-183 °C(lit.)

[ 分子式 ]:
C₇H₄ClNO₄

[ 分子量 ]:
201.564

[ 闪点 ]:
178.5±23.7 °C

[ 精确质量 ]:
200.982880

[ PSA ]:
83.12000

[ LogP ]:
2.37

[ 外观性状 ]:
白色至淡黄色晶体粉末

[ 蒸汽压 ]:
0.0±0.9 mmHg at 25°C

[ 折射率 ]:
1.628

[ 储存条件 ]:
库房低温,通风,干燥

4-氯-3-硝基苯甲酸MSDS

4-氯-3-硝基苯甲酸毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DG5425050

CHEMICAL NAME :: Benzoic acid, 4-chloro-3-nitro-

CAS REGISTRY NUMBER :: 96-99-1

BEILSTEIN REFERENCE NO. :: 0783626

LAST UPDATED :: 199710

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C7-H4-Cl-N-O4

MOLECULAR WEIGHT :: 201.57

WISWESSER LINE NOTATION :: WNR BG EVQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 3150 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 :: Oral

SPECIES OBSERVED :: Bird - wild bird species

DOSE/DURATION :: 75 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :: Mutation in microorganisms

TEST SYSTEM :: Bacteria - Salmonella typhimurium

DOSE/DURATION :: 500 ug/plate

REFERENCE :: SAIGBL Sangyo Igaku. Japanese Journal of Industrial Health. (Nippon Sangyo Eisei Igakkai, Kosu Eisei Bldg., 1-29-8, Shinjuku, Shinjuku-ku, Tokyo 160, Japan) V.1- 1959- Volume(issue)/page/year: 29,34,1987

4-氯-3-硝基苯甲酸安全信息

[ 符号 ]:

GHS07

[ 信号词 ]:
Warning

[ 危害声明 ]:
H315-H319-H335

[ 警示性声明 ]:
P261-P305 + P351 + P338

[ 个人防护装备 ]:
dust mask type N95 (US);Eyeshields;Gloves

[ 危害码 (欧洲) ]:
Xi:Irritant

[ 风险声明 (欧洲) ]:
R36/37/38

[ 安全声明 (欧洲) ]:
S26-S24/25

[ 危险品运输编码 ]:
NONH for all modes of transport

[ WGK德国 ]:
2

[ RTECS号 ]:
DG5425050

[ 海关编码 ]:
2918990090

4-氯-3-硝基苯甲酸合成路线

4-氯-3-硝基苯甲酸上下游产品

4-氯-3-硝基苯甲酸上游产品

4-氯-3-硝基苯甲酸下游产品

4-氯-3-硝基苯甲酸制备

由对氯苯甲酸经硝化而得。硝化操作可有几种方法。（1）将对氯苯甲酸、硫酸分批加入工业盐酸中，加完后在50-65℃下保温反应5h，放置过夜。然后将硝化物倒入冰水中，滤干、水洗得粗品。再用乙醇溶解、脱色、过滤后，在蒸馏水中析出结晶，干燥即得成品。（2）对氯苯甲酸在摩尔配比过量15倍的浓硝酸中硝化，在20℃以下反应6h。收率为90%。（3）用二氯甲烷作溶剂，在其沸点温度下用混酸进行硝化，收率为97%以上。另外，由对氯三氯甲苯经下列反应也可得到该品。在55-60℃下硝化反应15min，收率92%。

4-氯-3-硝基苯甲酸海关

[ 海关编码 ]: 2916399090

[ 中文概述 ]:
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

[ 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%

4-氯-3-硝基苯甲酸文献

Elastic and bendable caffeine cocrystals: implications for the design of flexible organic materials.

Angew. Chem. Int. Ed. Engl. 51(41) , 10319-23, (2012)

[Evaluation of the hepatotoxic activity of several chlor-nitro derivatives of benzoic acid].

Vopr. Med. Khim. 29(6) , 113-7, (1983)

Hepatotoxic effects of 4-chloro-3-nitrobenzoic acid (x-NBA), 3-nitrobenzoic acid (NBA) and 4-chlorobenzoic acid (CBA) were studied at the doses corresponding to LD50, 1/10 LD50 and 1/50 LD50. The toxi...

Preparation and antibacterial activity of copper and cobalt complexes of 4-chloro-3-nitrobenzoate with a nitrogen donor ligand.

Chem. Pharm. Bull. 55(3) , 446-50, (2007)

Copper and cobalt complexes with 4-chloro-3-nitrobenzoate (ClNBz) and the nitrogen ligands 1,3-diaminopropane (1,3-DAP) or o-phenylenediamine (o-PDA), were prepared and characterized. The complexes [C...

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