CAS 374633-36-0 2-Bromo-3-fluoro-6-methylpyridine (HCID 24820318)

기본 정보

CAS: 374633-36-0
표준 SMILES: Cc1ccc(F)c(Br)n1
InChIKey: KKVUMKHUMBXLMH-UHFFFAOYSA-N
분자식: C6H5BrFN
평균 분자량: 190.01 g/mol
단동위원소 질량: 188.95893948

이름 및 식별자

우선 이름: 2-Bromo-3-fluoro-6-methylpyridine
IUPAC: 2-bromo-3-fluoro-6-methylpyridine
영어명: 2-Bromo-3-fluoro-6-picoline
분자식: C6H5BrFN
분자량: 190.01

이름 및 동의어

2-Bromo-3-fluoro-6-methylpyridine374633-36-0DTXSID00647479RefChem:257056DTXCID00598230696-217-92-Bromo-3-fluoro-6-picoline2-bromo-3-fluoro-6-methyl-pyridineMFCD03095061SCHEMBL319343AKOS005762871CS-W019922

이름 더 보기

2-Bromo-3-fLuoro-6-methyL6-Bromo-5-fluoro-2-picolinePyridine, 2-bromo-3-fluoro-6-methyl-2-Bromo-3-fluoro-6-methylpyridine,98%2-BROMO-3-FLUORO-6-PICOLINE ISO 9001：2015 REACH

AC-1706PS-8393SB18589SY019783BCP06450AM62399SCHEMBL308207692-Bromo-3-fluoro-6-methyl pyridine

데이터베이스 식별자

CAS: 374633-36-0
PubChem CID: 24820318
DTXSID: DTXSID00647479
EC Number: 696-217-9

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 12.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 99.1

물리화학적 성질

끓는 점: 185.6 · 185.6±35.0 °C(Predicted)
밀도: 1.592 · 1.592±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
산도 계수 (pKa): -0.91 · -0.91±0.10(Predicted)
물리적 상태: 고체
InChI: InChI=1S/C6H5BrFN/c1-4-2-3-5(8)6(7)9-4/h2-3H,1H3
InChIKey: KKVUMKHUMBXLMH-UHFFFAOYSA-N
SMILES: C1(Br)=NC(C)=CC=C1F

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)

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