5-Bromo-3-methylpyridine-2-carbonitrile

HCID 20775007CAS 156072-86-5

기본 정보

표준 SMILES: Cc1cc(Br)cnc1C#N
InChIKey: YPCLLVYLWXIIBW-UHFFFAOYSA-N
분자식: C7H5BrN2
평균 분자량: 197.03 g/mol
단동위원소 질량: 195.96361026

이름 및 식별자

우선 이름: 5-Bromo-3-methylpyridine-2-carbonitrile
IUPAC: 5-bromo-3-methylpyridine-2-carbonitrile
영어명: 5-bromo-3-methylpicolinonitrile
분자식: C7H5BrN2
분자량: 197.03

이름 및 동의어

156072-86-55-Bromo-3-methylpyridine-2-carbonitrileDTXSID40609738RefChem:301819DTXCID80560495826-968-15-Bromo-3-methylpicolinonitrile5-Bromo-2-cyano-3-methylpyridine2-PYRIDINECARBONITRILE, 5-BROMO-3-METHYL-MFCD11975788SCHEMBL20761235-Bromo-3-methyl-picolinonitrile

이름 더 보기

5-Bromo-3-methyl-2-pyridinitrile5-bromo-3-methyl-2-pyridinecarbonitrile2-Pyridinecarbonitrile,5-bromo-3-methyl-5- Bromo-2-Cyano-3-methyl picolinonitrile5-Bromo-2-cyano-3-methylpyridine, 5-Bromo-3-methylpicolinonitrile5-Bromo-3-methylpicolinonitrile/5-bromo-3-methylpyridine-2-carbonitrile

YPCLLVYLWXIIBW-UHFFFAOYSA-N5-bromo-3-methyl-2-cyanopyridineAKOS015911680AB65088CS-W003818FS-34365-Bromo-3-methyl-pyridine-2-carbonitrileSY031479

데이터베이스 식별자

CAS: 156072-86-5
PubChem CID: 20775007
DTXSID: DTXSID40609738
EC Number: 826-968-1
Nikkaji: J3.446.114G

물성

구조 계산 물성

XLogP: 2
극성 표면적: 36.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 160

물리화학적 성질

끓는 점: 283.6 · 283.6±35.0 °C(Predicted)
밀도: 1.61 · 1.61±0.1 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
산도 계수 (pKa): -2.38 · -2.38±0.20(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, P317, 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.