CAS 96-99-1 MFCD00007079-4-Chloro-3-nitrobenzoic acid 4-氯-3-硝基苯甲酸 TAO{mole}

4-Chloro-3-nitrobenzoic acid 4-氯-3-硝基苯甲酸

CAS 96-99-1 MFCD00007079

化学结构图

SMILES: O=C(O)c1ccc(Cl)c([N+](=O)[O-])c1

化学属性

Mol. Formula	C7H4ClNO4
Mol. Weight	201.56
Density	1.645
Melting Point	180-183°C
TSCA	Yes
Appearance	浅黄色结晶性粉末。熔点181-182℃（183℃），相对密度（18/4℃）1.645。易溶于热水，溶于醇。
Boiling Point	371.6±27.0 °C at 760 mmHg

别名和识别编码

Chemical Name	4-Chloro-3-nitrobenzoic acid
CAS Number	96-99-1
Alfabeta Name	CHLORONITROBENZOICACID 43---
MDL Number	MFCD00007079
EC Number	202-550-9
Beilstein Registry Number	783626
Synonym	4-Chloro-3-nitrobenzoic acid {LY} 4-Chloro-3-nitrobenzoic acid {} {LY} 4-Chloro-3-nitrobenzoic acid {} {} {LY} 4-Chloro-3-nitrobenzoic acid {} {} {} {LY} 4-Chloro-3-nitrobenzoic acid {} {} {} {} {LY} 4-Chloro-3-nitrobenzoic acid {} {} {} {} {} {LY} 4-Chloro-3-nitrobenzoic acid {} {} {} {} {} {} {LY} 4-Chloro-3-nitrobenzoic acid {} {} {} {} {} {} {} {LY} 4-Chloro-3-nitrobenzoic acid {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {LY} 4-Chloro-3-nitrobenzoic acid {} {} {} {} {} {} {} {} {} {LY} 4-Chloro-3-nitrobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chloro-3-nitrobenzoic acid {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chloro-3-nitrobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chloro-3-nitrobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chloro-3-nitrobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chloro-3-nitro
PubChem Substance ID	7320
Chemical Name Translation	4-氯-3-硝基苯甲酸
Reaxys-RN	783626
Wiswesser Line Notation	WNR BG EVQ
LabNetwork Molecule ID	LN00173679
InChI	InChI=1S/C7H4ClNO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,(H,10,11)
Canonical SMILES	O=C(O)C1=CC=C(Cl)C([N+]([O-])=O)=C1

信息真实价格透明资金保障专业采购外包团队在线服务

品牌质保精细包装现货库存一流品牌服务

产品应用

有机合成中间体,用于染料和医药生产,化工产品起始原料。

安全信息

Warnings IRRITANT

Signal word Warning

GHS Symbol

WGK Germany2

Safety Statements

S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；

Risk Statements

R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性

Precautionary statements

P201 Obtain special instructions before use. 使用前获取专门指示。
P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前，切勿操作。
P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
P305+P351+P338
P305+P351+P338+P337+P313
P332+P313
P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
P405 Store locked up. 上锁保管。
P501 Dispose of contents/container to..… 处理内容物/容器.....

Hazard statements

H315 Causes skin irritation 会刺激皮肤
H319 Causes serious eye irritation 严重刺激眼睛
H335 May cause respiratory irritation 可能导致呼吸道刺激
H303 May be harmfully swallowed 吞食可能有害

RTECSDG5425050

Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves

Hazard Codes Xi

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
REFERENCE :
   85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J.,
   Prague, Czechoslovakia, Avicenum, 1986  Volume(issue)/page/year: -,577,1986

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
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   21,315,1972

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

Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

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。
毒性分级:中毒
用途一:用作医药中间体
下游产品:N-甲基咪唑 --> 甲苯达唑
4-氯-3-硝基苯甲酸价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 C0223 4-氯-3-硝基苯甲酸 4-Chloro-3-nitrobenzoic Acid 500G 881元 2014/06/02 C0223 4-氯-3-硝基苯甲酸 4-Chloro-3-nitrobenzoic Acid 25G 144元 2010/06/21 109675000 4-氯-3-硝基苯甲酸 4-Chloro-3-nitrobenzoic acid 99.5% 500 GR 1137元
Acros Organics:4-氯-3-硝基苯甲酸 4-Chloro-3-nitrobenzoic acid, 99.5%(96-99-1)
灭火剂:水, 二氧化碳, 干粉, 砂土
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。
图谱信息:4-氯-3-硝基苯甲酸(96-99-1)核磁图( 1 HNMR) 4-氯-3-硝基苯甲酸(96-99-1)Raman光谱 4-氯-3-硝基苯甲酸(96-99-1)质谱(MS) 4-氯-3-硝基苯甲酸(96-99-1)红外图谱(IR1) 4-氯-3-硝基苯甲酸(96-99-1)红外图谱(IR2)
TCI Shanghai:4-氯-3-硝基苯甲酸 4-Chloro-3-nitrobenzoic Acid,>;98.0%(T)(96-99-1)
方法一: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%。
海关编码:29163900
类别:有毒物质
Sigma Aldrich:96-99-1(sigmaaldrich)
Alfa Aesar:4-氯-3-硝基苯甲酸,99% 4-Chloro-3-nitrobenzoic acid, 99%(96-99-1)
不溶于水，微溶于热水。
储运特性:库房低温, 通风, 干燥
可燃性危险特性:可燃, 燃烧时分解有毒氯化物, 氮氧化物气体
上游原料:硫酸 --> 二氯甲烷 --> 硝酸 --> 工业盐酸 --> 硝化物 --> 对氯苯甲酸 --> 4-氯三氯甲苯
MSDS 信息:4-Chloro-3-nitrobenzoic acid(96-99-1).msds
急性毒性:口服-大鼠 LD50： 3150 毫克/公斤
MOL 文件:96-99-1.mol