6-Chloro-3-methylpyridine-2-carboxylic acid

HCID 46941470

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1201924-32-4
표준 SMILES: Cc1ccc(Cl)nc1C(=O)O
InChIKey: ODSPBBWQVLWOPG-UHFFFAOYSA-N
분자식: C7H6ClNO2
평균 분자량: 171.58 g/mol
단동위원소 질량: 171.0087061

이름 및 식별자

우선 이름: 6-Chloro-3-methylpyridine-2-carboxylic acid
IUPAC: 6-chloro-3-methylpyridine-2-carboxylic acid
영어명: 6-Chloro-3-Methylpyridine-2-carboxylic Acid
분자식: C7H6ClNO2
분자량: 171.58

이름 및 동의어

1201924-32-46-chloro-3-methylpyridine-2-carboxylic acidDTXSID40677437RefChem:541669DTXCID40628186962-711-06-Chloro-3-methylpicolinic acid2-PYRIDINECARBOXYLIC ACID, 6-CHLORO-3-METHYL-MFCD162498406-chloro-3-methyl-pyridine-2-carboxylic acid6-chloro-3-methylpicolinicacidSCHEMBL1428059

이름 더 보기

6-chloro-3-methylpyridine-2-carboxylicaci6-Chloro-3-methylpicolinic acid (6-Chloro-3-methylpyridine-2-carboxylic acid)

6-Chloro-3-methylpicolinic acid, AldrichCPRZ32348790516-CHLORO-3-METHYL-2-PYRIDINE CARBOXYLIC ACIDBCP21SCHEMBL29439572CS-D0312AKOS015891830AB70776

데이터베이스 식별자

CAS: 1201924-32-4
PubChem CID: 46941470
DTXSID: DTXSID40677437
EC Number: 962-711-0

물성

구조 계산 물성

XLogP: 2
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

끓는 점: 333.7 · 333.7±37.0 °C(Predicted)
밀도: 1.39 · 1.390±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): 2.93 · 2.93±0.32(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

안전 데이터

wgk: 3
HS 번호: 2933399990

화학 및 산업

응용 분야

용도6-Chloro-3-methylpyridine-2-carboxylic Acid is disubstituted pyridinecarboxylic acid used in the preparation of biologically active compounds such as inhibitors of Janus kinases and PDK1.