4-Nitrophenethyl bromide

HCID 79266CAS 5339-26-4

기본 정보

표준 SMILES: O=[N+]([O-])c1ccc(CCBr)cc1
InChIKey: NTURQZFFJDCTMZ-UHFFFAOYSA-N
분자식: C8H8BrNO2
평균 분자량: 230.06 g/mol
단동위원소 질량: 228.9738406

이름 및 식별자

우선 이름: 4-Nitrophenethyl bromide
IUPAC: 1-(2-bromoethyl)-4-nitrobenzene
영어명: 4-Nitrophenethyl bromide
분자식: C8H8BrNO2
분자량: 230.06

이름 및 동의어

4-Nitrophenethyl bromide5339-26-4DTXSID902015494-nitrophenyl-ethyl-bromideRefChem:525964DTXCID70124040226-271-71-(2-Bromoethyl)-4-nitrobenzene2-(4-Nitrophenyl)ethyl bromideBenzene, 1-(2-bromoethyl)-4-nitro-4-Nitrophenethylbromidep-Nitrophenethyl bromide

이름 더 보기

NSC 3493-d4NSC 100730-d44-Nitrophenethyl4-Nitrophenethyl bro4-NITROPHENETHYL BIOMIDE4-Nitrophene ethyl bromide

4-nitrophenylethyl bromide4-(2-Bromoethyl)nitrobenzeneMFCD000073861-Bromo-2-(4-nitrophenyl)ethane4-(2-bromoethyl)-1-nitrobenzene.beta.-(p-Nitrophenyl)ethyl bromide2-(4-Nitrophenyl)ethylbromide4-(2-bromoethyl)-nitrobenzene

데이터베이스 식별자

CAS: 5339-26-4
PubChem CID: 79266
DTXSID: DTXSID90201549
EC Number: 226-271-7
Nikkaji: J104.764G

물성

구조 계산 물성

XLogP: 2.9
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: 150

물리화학적 성질

녹는점: 67 · 67-69 °C (lit.)
끓는 점: 116 °C/0.2mm · 116°C/0.2mm
밀도: 1.627 · 1.6270 (rough estimate)
굴절률: 1.612 · 1.6120 (estimate)
인화점: 116 °C/0.2mm · 116°C/0.2mm
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름(약간), 디클로로메탄(약간), 메탄올(약간) 에 용해됨
물리적 상태: 결정 또는 결정성 분말 부착
색상: 노란색
수용성: 물(일부) 및 메탄올에 용해됩니다.
BRN: 1909321 · 1909321
InChI: InChI=1S/C8H8BrNO2/c9-6-5-7-1-3-8(4-2-7)10(11)12/h1-4H,5-6H2
InChIKey: NTURQZFFJDCTMZ-UHFFFAOYSA-N
SMILES: C1(CCBr)=CC=C([N+]([O-])=O)C=C1
NIST: 1 · 1-Bromo-2-(4-nitrophenyl)ethane(5339-26-4)

화학적 성질

yellowish adhering crystals or crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.