2-Bromo-1-(2-pyridinyl)-1-ethanone hydrobromide

HCID 2776231CAS 17570-98-8

기본 정보

표준 SMILES: Br.O=C(CBr)c1ccccn1
InChIKey: BYKVUGZUYJUSKD-UHFFFAOYSA-N
분자식: C7H7Br2NO
평균 분자량: 280.94 g/mol
단동위원소 질량: 278.88943804

이름 및 식별자

우선 이름: 2-Bromo-1-(2-pyridinyl)-1-ethanone hydrobromide
IUPAC: 2-bromo-1-pyridin-2-ylethanone;hydrobromide
영어명: 2-(BROMOACETYL)PYRIDINE HYDROBROMIDE
분자식: C7H7Br2NO
분자량: 280.94

이름 및 동의어

2-bromo-1-(2-pyridinyl)-1-ethanone hydrobromideRefChem:465895642-647-72-(Bromoacetyl)pyridine hydrobromide17570-98-82-bromo-1-(pyridin-2-yl)ethanone hydrobromideMFCD021811962-(2-bromoacetyl)pyridine hydrobromide2-bromo-1-pyridin-2-ylethanone;hydrobromide2-(BROMOACETYL)PYRIDINE HBREthanone, 2-bromo-1-(2-pyridinyl)-, hydrobromide (1:1)2-BROMO-1-(PYRIDIN-2-YL)ETHAN-1-ONE HYDROBROMIDE

이름 더 보기

BUTTPARK 32\08-51TIMTEC-BB SBB0055812-(Bromoacetyl)pyrdine hydrobromide2-Bromo-1-(2-pyridinyl)-1-ethanone*HBr2-(Bromoacetyl)pyridine hydrobromide ,97%Bromomethyl 2-pyridyl ketone hydrobromide

SCHEMBL10166012-bromoacetylpyridine hydrobromide2-Bromo-1-(2-pyridinyl)-1-ethanone hydrobromideAS-18166SY0079622-bromo-1-pyridin-2-yl ethanone hydrobromide2-bromo-1-pyridin-2-ylethanone;hydron;bromide2-bromo-1-(pyridin-2-yl)ethanone, hydrobromide

데이터베이스 식별자

CAS: 17570-98-8
PubChem CID: 2776231
DTXSID: DTXSID40379909
EC Number: 642-647-7

물성

구조 계산 물성

극성 표면적: 30 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 127

물리화학적 성질

녹는점: 205 °C · 205 °C
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 가루
색상: 연한 갈색
InChI: InChI=1S/C7H6BrNO.BrH/c8-5-7(10)6-3-1-2-4-9-6;/h1-4H,5H2;1H
InChIKey: BYKVUGZUYJUSKD-UHFFFAOYSA-N
SMILES: C1(N=CC=CC=1)C(=O)CBr.Br

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (40%): 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 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.