3-Bromo-2-fluoro-5-methylpyridine

HCID 21816563

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 17282-01-8
표준 SMILES: Cc1cnc(F)c(Br)c1
InChIKey: FWKQBHMQYXTOTD-UHFFFAOYSA-N
분자식: C6H5BrFN
평균 분자량: 190.01 g/mol
단동위원소 질량: 188.95893948

이름 및 식별자

우선 이름: 3-Bromo-2-fluoro-5-methylpyridine
IUPAC: 3-bromo-2-fluoro-5-methylpyridine
영어명: 3-Bromo-2-fluoro-5-methylpyridine
분자식: C6H5BrFN
분자량: 190.01

이름 및 동의어

3-Bromo-2-fluoro-5-methylpyridine17282-01-8DTXSID70618373RefChem:93120DTXCID00569127807-945-53-bromo-2-fluoro-5-picolineMFCD03095305CS-D0947AKOS005063652AB13665DS-0586

이름 더 보기

2-FLUORO-3-BROMO-5-METHYLPYRIDNIEPyridine, 3-bromo-2-fluoro-5-methyl-3-Bromo-2-fluoro-5-methylpyridine >3-Bromo-2-fluoro-5-methylpyridine 97%3-Bromo-2-fluoro-5-methylpyridine ISO 9001：2015 REACH

3-BROMO-2-FLUORO-5-METHYL-PYRIDINE3-bromo-2-fluoro-5-methyl pyridine2-FLUORO-3-BROMO-5-METHYLPYRIDINE2-fluoro-3-bromo-5-picolineBCP22131AM20061715SCHEMBL1157325-Bromo-6-fluoro-3-picoline

데이터베이스 식별자

CAS: 17282-01-8
PubChem CID: 21816563
DTXSID: DTXSID70618373
EC Number: 807-945-5

물성

구조 계산 물성

XLogP: 2.3
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

녹는점: 57 to · 57.0 to 61.0 °C
끓는 점: 207.8 · 207.8±35.0 °C(Predicted)
밀도: 1.6 g/cm · 1.6 g/cm
증기압: 0.318 mmHg · 0.318mmHg at 25°C
굴절률: 1.53 · 1.53
인화점: 79.5 oC · 79.5oC
저장 조건: Inert atmosphere,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): -2.5 · -2.50±0.20(Predicted)
색상: 흰색에서 거의 흰색

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (50%)

안전 데이터

HS 번호: 2933399990
risk_code: 20/21/22-36/37/38-41-37/38-22
hazard_code: Xi,Xn
safety_code: 26-36-39
위험 등급: IRRITANT

화학 및 산업

응용 분야 · 1건

용도3-Bromo-2-fluoro-5-methylpyridine is a pyridine analogue whose structure contains active groups bromine and fluorine atoms, and is mainly used as a reagent for chemical reactions or as an intermediate component in organic synthesis, and can be used in the preparation of 3-bromo-5-methylpicolinonitrile.