6-클로로-5-메틸피리딘-2-카르복실산

6-Chloro-5-methylpyridine-2-carboxylic acid

HCID 18324437

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1166828-13-2
표준 SMILES: Cc1ccc(C(=O)O)nc1Cl
InChIKey: ZURJURQGGWNOFN-UHFFFAOYSA-N
분자식: C7H6ClNO2
평균 분자량: 171.58 g/mol
단동위원소 질량: 171.0087061

이름 및 식별자

우선 이름: 6-Chloro-5-methylpyridine-2-carboxylic acid
IUPAC: 6-chloro-5-methylpyridine-2-carboxylic acid
현지명: 6-클로로-5-메틸피리딘-2-카르복실산
영어명: 6-Chloro-5-Methylpyridine-2-carboxylic acid
분자식: C7H6ClNO2
분자량: 171.58

이름 및 동의어

6-Chloro-5-methylpyridine-2-carboxylic acid1166828-13-2DTXSID60592799RefChem:308028DTXCID00543563962-945-36-CHLORO-5-METHYLPICOLINIC ACIDMFCD131767166-Chloro-5-methyl-pyridine-2-carboxylic acid2-PYRIDINECARBOXYLIC ACID, 6-CHLORO-5-METHYL-6-CHLORO-5-METHYL-2-PYRIDINECARBOXYLIC ACIDSCHEMBL1106060

이름 더 보기

6-클로로-5-메틸피리딘-2-카르복실산

ZURJURQGGWNOFN-UHFFFAOYSA-NAKOS015842367AB66617CS-W019905DS-16719SY1077736-Chloro-5-methylpyridine-2-carboxylicacidDB-359485

데이터베이스 식별자

CAS: 1166828-13-2
PubChem CID: 18324437
DTXSID: DTXSID60592799
EC Number: 962-945-3

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: 346.2 · 346.2±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): 3.44 · 3.44±0.10(Predicted)
InChI: InChI=1S/C7H6ClNO2/c1-4-2-3-5(7(10)11)9-6(4)8/h2-3H,1H3,(H,10,11)
InChIKey: ZURJURQGGWNOFN-UHFFFAOYSA-N
SMILES: C1(C(O)=O)=NC(Cl)=C(C)C=C1

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.