3-Bromo-2,6-dimethylpyridine

HCID 603971CAS 3430-31-7

기본 정보

표준 SMILES: Cc1ccc(Br)c(C)n1
InChIKey: TUJVGHCSNXCAFE-UHFFFAOYSA-N
분자식: C7H8BrN
평균 분자량: 186.05 g/mol
단동위원소 질량: 184.98401136

이름 및 식별자

우선 이름: 3-Bromo-2,6-dimethylpyridine
IUPAC: 3-bromo-2,6-dimethylpyridine
영어명: 3-Bromo-2,6-dimethylpyridine
분자식: C7H8BrN
분자량: 186.05

이름 및 동의어

3-Bromo-2,6-dimethylpyridine3430-31-7DTXSID80345365RefChem:277261DTXCID70296438685-732-42,6-Dimethyl-3-bromopyridine3-Bromo-2,6-dimethyl-pyridineMFCD00235164Pyridine, 3-bromo-2,6-dimethyl-3-BROMO-2,6-LUTIDINESCHEMBL312628

이름 더 보기

6-dimethylpyridine3-Bromo-2,6-dimethyl3-Bromo-6-methyl-2-picolin3-Bromo-6-methyl-2-picoline3-Bromo-2,6-dimethylpyridine 98%3-Bromo-2,6-dimethylpyridine ,97%2,6-Dimethylpyridine-3-Bromopyridine

SCHEMBL578026TUJVGHCSNXCAFE-UHFFFAOYSA-NSBB0903503-Bromo-2,6-dimethylpyridine, 97%AKOS005255989AB05311AC-6260CS-W002566

데이터베이스 식별자

CAS: 3430-31-7
PubChem CID: 603971
DTXSID: DTXSID80345365
EC Number: 685-732-4
Nikkaji: J2.639.373F

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 12.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 94.9

물리화학적 성질

끓는 점: 56 · 56-58°C 2mm
밀도: 1.431 g/mL · 1.431 g/mL at 25 °C
굴절률: 20 · n20/D1.552
인화점: 86 ℃ · 86℃
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 액체
산도 계수 (pKa): 4.32 · 4.32±0.10(Predicted)
색상: Clear, colourless
InChI: InChI=1S/C7H8BrN/c1-5-3-4-7(8)6(2)9-5/h3-4H,1-2H3
InChIKey: TUJVGHCSNXCAFE-UHFFFAOYSA-N
SMILES: C1(C)=NC(C)=CC=C1Br

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.