3-Bromo-4-methylpyridine (HCID 817630)

이름 및 식별자

우선 이름: 3-Bromo-4-methylpyridine
IUPAC: 3-bromo-4-methylpyridine
영어명: 3-Bromo-4-methylpyridine
분자식: C6H6BrN
분자량: 172.02

이름 및 동의어

3-Bromo-4-methylpyridine3430-22-6DTXSID80355828RefChem:93180DTXCID50306887608-967-63-Bromo-4-picoline4-Methyl-3-bromopyridinePYRIDINE, 3-BROMO-4-METHYL-MFCD000825923-Bromo-4-methyl-pyridineSCHEMBL314379

이름 더 보기

Bromomethylpyridine4-Methyihebio3-Bromo-4-methylpyri3-Bromo-4-methylpyridins3--4- MethylpyridinebroMide

3-Bromo-4-methylpyridine, 96%BR1702CS-W019971SY005820AC-907/250141093-Bromo-4-methylpy3-bromo4-methylpyridineTofacitinib Intermediates

데이터베이스 식별자

CAS: 3430-22-6
PubChem CID: 817630
DTXSID: DTXSID80355828
UNII: Z5F2SPZ2AD
EC Number: 608-967-6
Nikkaji: J1.803.224D

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 12.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 74.9

물리화학적 성질

끓는 점: 199 · 199-200 °C(lit.)
밀도: 1.549 g/mL · 1.549 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.56(lit.)
인화점: 175 °F · 175 °F
저장 조건: Inert atmosphere,Room Temperature
용해도: 클로로포름, 메탄올에 용해됨
산도 계수 (pKa): 3.54 · 3.54±0.18(Predicted)
물리적 상태: 액체
Specific Gravity: 1.549 · 1.549
색상: 무색~황색으로 투명함
BRN: 878354 · 878354
InChI: InChI=1S/C6H6BrN/c1-5-2-3-8-4-6(5)7/h2-4H,1H3
InChIKey: GSQZOLXWFQQJHJ-UHFFFAOYSA-N
SMILES: C1=NC=CC(C)=C1Br

화학적 성질

Clear Liquid

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 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
ridadr: Cool, dry,tightly closed
HS 번호: 29339900
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 26-36-2636
포장분류: III
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 1건

용도3-Bromo-4-methylpyridine may be used as a building block in the preparation of:substituted 4-(2,2-diphenylethyl)pyridine-N-oxides for use as potent phosphodiesterase type 4 (PDE4) inhibitorsbenzodiazepine site ligands bearing tricyclic pyridone moiety for human GABAA receptora novel isomer of ascididemin3-bromopyridine-4-carbonitrile