CAS 16793-89-8 2-Nitrophenethyl bromide (HCID 12363878)

기본 정보

CAS: 16793-89-8
표준 SMILES: O=[N+]([O-])c1ccccc1CCBr
InChIKey: SJLIPOVZERLCNL-UHFFFAOYSA-N
분자식: C8H8BrNO2
평균 분자량: 230.06 g/mol
단동위원소 질량: 228.9738406

이름 및 식별자

우선 이름: 2-Nitrophenethyl bromide
IUPAC: 1-(2-bromoethyl)-2-nitrobenzene
영어명: 1-(2-BROMOETHYL)-2-NITROBENZENE
분자식: C8H8BrNO2
분자량: 230.06

이름 및 동의어

2-Nitrophenethyl bromideRefChem:477209627-488-31-(2-Bromoethyl)-2-nitrobenzene16793-89-8Benzene, 1-(2-bromoethyl)-2-nitro-MFCD068001592-(2-Bromoethyl)nitrobenzene2-(2-bromoethyl)-nitrobenzeneSCHEMBL18144442-(2-nitrophenyl)ethyl bromideAKOS013153636

이름 더 보기

o-Nitrophenethyl bromide2-Nitrophenethyl broMide 97%2-(o-Nitrophenyl)ethyl bromide1-bromo-2-(2-nitro-phenyl-)-ethane

AS-75886SY316636C77958BB 0259827(2-bromoethyl)-2-nitrobenzene2-Nitrophenethyl bromide, 97%SCHEMBL27940186SCHEMBL30178336

데이터베이스 식별자

CAS: 16793-89-8
PubChem CID: 12363878
DTXSID: DTXSID50494319
EC Number: 627-488-3
Nikkaji: J2.896.094H

물성

구조 계산 물성

XLogP: 3
극성 표면적: 45.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 158

물리화학적 성질

녹는점: 34 · 34-38 °C
끓는 점: 127 · 127-130 °C/1 mmHg
밀도: 1.562 · 1.562±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: liquid
InChI: 1S/C8H8BrNO2/c9-6-5-7-3-1-2-4-8(7)10(11)12/h1-4H,5-6H2
InChIKey: SJLIPOVZERLCNL-UHFFFAOYSA-N
SMILES: [O-][N+](=O)c1ccccc1CCBr

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, 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.