CAS 779344-30-8 3-Bromo-6-methylpyridine-2-carboxylic acid (HCID 21901493)

기본 정보

CAS: 779344-30-8
표준 SMILES: Cc1ccc(Br)c(C(=O)O)n1
InChIKey: MXOLBWQGTJFFIL-UHFFFAOYSA-N
분자식: C7H6BrNO2
평균 분자량: 216.03 g/mol
단동위원소 질량: 214.95819053

이름 및 식별자

우선 이름: 3-Bromo-6-methylpyridine-2-carboxylic acid
IUPAC: 3-bromo-6-methylpyridine-2-carboxylic acid
현지명: 3-브로모-6-메틸피콜린산
영어명: 3-BROMO-6-METHYLPICOLINIC ACID
분자식: C7H6BrNO2
분자량: 216.03

이름 및 동의어

779344-30-83-BROMO-6-METHYLPYRIDINE-2-CARBOXYLIC ACIDDTXSID30619765RefChem:277663DTXCID80570519888-821-83-Bromo-6-methylpicolinic acidMFCD074378673-BROMO-6-METHYL-PYRIDINE-2-CARBOXYLIC ACID3-BROMO-6-METHYLPICOLINICACID2-PYRIDINECARBOXYLIC ACID, 3-BROMO-6-METHYL-SCHEMBL1405829

이름 더 보기

3-브로모-6-메틸피콜린산3-Bromo-6-methyl-2-pyridinecarboxylic acid3-Bromo-6-methylpicolinic acid hydrochloride2-Pyridinecarboxylicacid,3-bromo-6-methyl-(9CI)3-bromo-6-methylpyridine-2-carboxylic acid - [B31304]

MXOLBWQGTJFFIL-UHFFFAOYSA-NAKOS016005629AB41940CS-W021878FB46394AS-55144SY041255EN300-118266

데이터베이스 식별자

CAS: 779344-30-8
PubChem CID: 21901493
DTXSID: DTXSID30619765
EC Number: 888-821-8

물성

구조 계산 물성

XLogP: 1.8
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: 314 · 314.0±42.0 °C(Predicted)
밀도: 1.692 · 1.692±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): 2.36 · 2.36±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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.