Methyl 2-Chloro-5-Nitrobenzoate 2-氯-5-硝基苯甲酸甲酯

CAS 6307-82-0 MFCD00184587

化学结构图

6307-82-0
SMILES: COC(=O)c1cc([N+](=O)[O-])ccc1Cl

化学属性

Mol. FormulaC8
Mol. Weight216
Melting Point67.0 to 72.0 deg-C
TSCANo

别名和识别编码

Chemical NameMethyl 2-Chloro-5-Nitrobenzoate
CAS Number6307-82-0
Alfabeta NameMETHYLCHLORONITROBENZENECARBOXYLATE 25---
MDL NumberMFCD00184587
PubChem Substance ID22754
Synonym 2-氯-5-硝基苯甲酸甲酯 METHYL 2-CHLORO-5-NITROBENZOATE METHYL 2-CHLORO-5-NITROBENZENECARBOXYLATE RARECHEM AL BF 0191 methylester kyseliny 2-chlor-5-nitrobenzoove 2-Chloro-5-nitrobenzoic acid methyl ester 2-chloro-5-nitro-benzoicacimethylester 2-CHLORO-5-NITROBENZOIC ACID METHYL ESTER Methylester kyseliny 2-chlor-5-nitrobenzoove 5-Nitro-2-chlorobenzoic acid methyl 2-Chloro-5-nitrobenzoic acid methyl
Beilstein Registry Number9(4)1228
Reaxys-RN1966320
Chemical Name Translation2-氯-5-硝基苯甲酸甲酯
InChIKeyVCYWZLGOWNCJNJ-UHFFFAOYSA-N
LabNetwork Molecule IDLN00148512
InChIInChI=1S/C8H6ClNO4/c1-14-8(11)6-4-5(10(12)13)2-3-7(6)9/h2-4H,1H3
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分类

  • {KO} Nitros
  • {KO} ReacChlorides
  • {KO} Esters
  • {SNA} Building Blocks, C8 to C9, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks

安全信息

Warnings IRRITANT
WGK Germany2
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Safety Statements
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
  • 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；
  • S37 Wear suitable gloves 戴适当手套；
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
Hazard Codes Xi
RTECSDG5426500
Signal word
Hazard statements
  • H316 Causes mild skin irritation 会轻微的刺激皮肤
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P332+P313
  • P305+P351+P338+P337+P313
  • P337+P313
  • P305+P351+P338 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 5360 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: -,591,1986

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
4
Rotatable Bonds
2
H-bond Donors
0
LogP
2

其他信息

  • TCI Shanghai:2-氯-5-硝基苯甲酸甲酯 Methyl 2-Chloro-5-nitrobenzoate,>;98.0%(GC)(6307-82-0)
  • 类别:有毒物质
  • Hazard Note:Irritant
  • MOL 文件:6307-82-0.mol
  • 2-氯-5-硝基苯甲酸甲酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C1732 2-氯-5-硝基苯甲酸甲酯 Methyl 2-Chloro-5-nitrobenzoate 25G 1740元 2010/05/25 A19913 2-氯-5-硝基苯甲酸甲酯, 97% Methyl 2-chloro-5-nitrobenzoate, 97% 50g 11998元 2010/05/25 A19913 2-氯-5-硝基苯甲酸甲酯, 97% Methyl 2-chloro-5-nitrobenzoate, 97% 2.5g 836元
  • 毒性分级:低毒
  • 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
  • 下游产品:氟丙嘧草酯
  • Alfa Aesar:2-氯-5-硝基苯甲酸甲酯,97% Methyl 2-chloro-5-nitrobenzoate, 97%(6307-82-0)
  • 刺激数据:皮肤- 兔 500 毫克/ 24小时 轻度; 眼睛- 兔 500 毫克/ 24小时 轻度
  • 灭火剂:水, 二氧化碳, 干粉, 砂土
  • 储运特性:库房低温, 通风, 干燥
  • Sigma Aldrich:6307-82-0(sigmaaldrich)
  • 急性毒性:口服-大鼠 LD50: 5360 毫克/公斤

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds
  6. C8 to C9 - Esters

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