2-氯-6-甲基吡啶-4-羧酸

2-Chloro-6-methylpyridine-4-carboxylic acid

HCID 141209CAS 25462-85-5

子结构检索查找相似结构

基本信息

标准SMILES: Cc1cc(C(=O)O)cc(Cl)n1
InChIKey: ZGZMEKHQIZSZOH-UHFFFAOYSA-N
分子式: C7H6ClNO2
平均分子量: 171.58 g/mol
单同位素质量: 171.00870611

概述

2-Chloro-6-methylisonicotinic acid is a member of pyridines and an aromatic carboxylic acid.

名称与标识

首选名称: 2-Chloro-6-methylpyridine-4-carboxylic acid
IUPAC: 2-chloro-6-methylpyridine-4-carboxylic acid
中文名: 2-氯-6-甲基吡啶-4-羧酸
英文名: 2-Chloro-6-methylpyridine-4-carboxylic acid
分子式: C7H6ClNO2
分子量: 171.58

名称与别名

25462-85-52-Chloro-6-methylpyridine-4-carboxylic acidDTXSID30180147RefChem:86354DTXCID40102638626-878-0ZGZMEKHQIZSZOH-UHFFFAOYSA-N2-Chloro-6-methylisonicotinic acidMFCD000528302-chloro-6-methyl-pyridine-4-carboxylic acid2-Chloro-6-methylisonicotinicacidCHEBI:194645

展开更多名称

2-甲基-6-氯异烟酸2-氯-6-甲基异烟酸6-氯-2-甲基异烟酸2-氯-6-甲基-4-吡啶甲酸2-氯-6-甲基吡啶-4-羧酸2-氯-6-甲基吡啶-4-甲酸2-氯-6-甲基吡啶-4-羧酸,98%2-氯-6-甲基吡啶-4-羧酸(CAS号:25462-85-5)2-氯-6-甲基吡啶-4-甲酸2-Chloro-6-methylpyridine-4-carboxylic acid2-氯-6-甲基吡啶-4-甲酸2-Chloro-6-methylpyridine-4-carboxylic acidBUTTPARK 43\57-36TIMTEC-BB SBB0054296-Chloro-4-cyanopicolinic acid2-CHLORO-6-PICOLINE-4-CARBOXYLIC ACID2-Chloro-6-methylisonicotinic Acid >2-CHLORO-6-METHYLPYRIDINE-4-CARBOXYLIC &2-Chloro-6-methyl-pyrid-3-carboxylic acid2-Chloro-6-methylpyridine-4-carboxylicaci2-chloro-6-Methyl-4-pyridinecarboxylicacid

CS-D0955CL0087AC-7397SY006023EN300-828512-CHLORO-6-METHYL-4-PYRIDINECARBOXYLIC ACID4-PYRIDINECARBOXYLIC ACID, 2-CHLORO-6-METHYL-BCP11279

数据库标识

CAS: 25462-85-5
PubChem CID: 141209
DTXSID: DTXSID30180147
ChEMBL: CHEMBL5084875
ChEBI: CHEBI:194645
EC Number: 626-878-0
Nikkaji: J307.788H

性质

结构计算性质

XLogP: 1.7
极性表面积: 50.2 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 1
重原子: 11
形式电荷: 0
复杂度: 163

物理化学性质

熔点: 208 · 208-212 °C (dec.) (lit.)
沸点: 399 · 399.0±37.0 °C(Predicted)
密度: 1.39 · 1.390±0.06 g/cm3(Predicted)
储存条件: Keep in dark place,Sealed in dry,Room Temperature
溶解度: soluble in Methanol
形态: powder to crystal
酸度系数(pKa): 3.07 · 3.07±0.10(Predicted)
颜色: White to Light yellow
BRN: 122809 · 122809
InChI: InChI=1S/C7H6ClNO2/c1-4-2-5(7(10)11)3-6(8)9-4/h2-3H,1H3,(H,10,11)
InChIKey: ZGZMEKHQIZSZOH-UHFFFAOYSA-N
SMILES: C1(Cl)=NC(C)=CC(C(O)=O)=C1
CAS 数据库: 25462 · 25462-85-5(CAS DataBase Reference)

安全与法规

GHS分类

GHS Classification · 4 条

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危害信息

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全数据

wgk: 3
危险等级: IRRITANT
存储类别: 11 - Combustible Solids
安全说明: 26-36/37/39-22-36
海关编码: 29333990
危险品标志: Xi,Xn
危险性类别: Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
危险类别码: 36/37/38-43-20/21/22

化学与工业

上下游产品信息

上游原料

2-羟基-6-甲基吡啶-4-羧酸乙酰丙酮酸乙酯三氯氧磷五氯化磷盐酸氰乙酰胺

下游产品

2-氯-6-甲基异烟酸甲酯 2-氯-6-甲基-4-(三氟甲基)吡啶 (2-氯-6-甲基吡啶-4-基)甲醇

试剂价格

C2486 · 1g: 2-氯-6-甲基异烟酸2-Chloro-6-methylisonicotinic Acid — 25元
C2486 · 5g: 2-氯-6-甲基异烟酸2-Chloro-6-methylisonicotinic Acid — 50元

供应商50 家

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

苏州启航生物科技有限公司18151111370 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

环生美森医药技术（山东）有限公司0531-88762217 18301471076 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

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