2,6-디클로로-4-메틸-3-피리딘카르복실산

2,6-Dichloro-4-methylpyridine-3-carboxylic acid

HCID 676121

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 62774-90-7
표준 SMILES: Cc1cc(Cl)nc(Cl)c1C(=O)O
InChIKey: QOSNTWMXACGOMD-UHFFFAOYSA-N
분자식: C7H5Cl2NO2
평균 분자량: 206.02 g/mol
단동위원소 질량: 204.96973376

이름 및 식별자

우선 이름: 2,6-Dichloro-4-methylpyridine-3-carboxylic acid
IUPAC: 2,6-dichloro-4-methylpyridine-3-carboxylic acid
현지명: 2,6-디클로로-4-메틸-3-피리딘카르복실산
영어명: 2,6-Dichloro-4-methyl-3-pyridinecarboxylic acid
분자식: C7H5Cl2NO2
분자량: 206.03

이름 및 동의어

2,6-dichloro-4-methylpyridine-3-carboxylic acidRefChem:445416676-818-262774-90-72,6-dichloro-4-methylnicotinic acid2,6-Dichloro-4-methyl-3-pyridinecarboxylic acidMFCD029327242,6-dichloro-4-methyl-nicotinic acid3-PYRIDINECARBOXYLIC ACID, 2,6-DICHLORO-4-METHYL-2,6-dichloro-4-methyl-pyridine-3-carboxylic Acid2,6-dichloroSCHEMBL473877

이름 더 보기

2,6-디클로로-4-메틸-3-피리딘카르복실산2,6-dichloro-4-methylnicotinic2,6-Dichloro-4-methylnicotinicacid,98%2,6-Dichloro-4-methyl-3-pyridinecarboxylic2,6-Dichloro-4-methylpyridin-3-carboxylic acid

SCHEMBL29384281DTXSID30350247QOSNTWMXACGOMD-UHFFFAOYSA-N2,6-dichloro-4-methylnicotinicacidCS-D0785AKOS005146081AC-3180PB15719

데이터베이스 식별자

CAS: 62774-90-7
PubChem CID: 676121
DTXSID: DTXSID30350247
EC Number: 676-818-2
Nikkaji: J1.233.077D

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 50.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 188

물리화학적 성질

녹는점: 140 · 140-141 °C
끓는 점: 370.1 · 370.1±37.0 °C(Predicted)
밀도: 1.522 · 1.522±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): 1.55 · 1.55±0.38(Predicted)
InChI: InChI=1S/C7H5Cl2NO2/c1-3-2-4(8)10-6(9)5(3)7(11)12/h2H,1H3,(H,11,12)
InChIKey: QOSNTWMXACGOMD-UHFFFAOYSA-N
SMILES: C1(Cl)=NC(Cl)=CC(C)=C1C(O)=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

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

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.