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

HCID 141209CAS 25462-85-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1cc(C(=O)O)cc(Cl)n1
InChIKey: ZGZMEKHQIZSZOH-UHFFFAOYSA-N
분자식: C7H6ClNO2
평균 분자량: 171.58 g/mol
단동위원소 질량: 171.00870611

개요

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

이름 및 식별자

우선 이름: 2-Chloro-6-methylpyridine-4-carboxylic acid
IUPAC: 2-chloro-6-methylpyridine-4-carboxylic acid
영어명: 2-Chloro-6-methylpyridine-4-carboxylic acid
분자식: C7H6ClNO2
분자량: 171.58

이름 및 동의어

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

이름 더 보기

BUTTPARK 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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 50.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 163

물리화학적 성질

녹는점: 208 · 208-212 °C (dec.) (lit.)
끓는 점: 399 · 399.0±37.0 °C(Predicted)
밀도: 1.39 · 1.390±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 3.07 · 3.07±0.10(Predicted)
색상: 흰색에서 밝은 노란색
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

화학적 성질

White solid

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29333990
risk_code: 36/37/38-43-20/21/22
hazard_code: Xi,Xn
safety_code: 26-36/37/39-22-36
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

상·하류 제품 정보

상류 원료

하류 제품

Methyl 2-chloro-6-methylpyridine-4-carboxylate 2-Chloro-6-methyl-4-(trifluoromethyl)pyridine (2-chloro-6-methylpyridin-4-yl)methanol

공급사50 곳

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]

연결된 노트

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