2-Bromo-1-(3-nitrophenyl)ethan-1-one

HCID 75213CAS 2227-64-7

기본 정보

표준 SMILES: O=C(CBr)c1cccc([N+](=O)[O-])c1
InChIKey: GZHPNIQBPGUSSX-UHFFFAOYSA-N
분자식: C8H6BrNO3
평균 분자량: 244.04 g/mol
단동위원소 질량: 242.95310515

이름 및 식별자

우선 이름: 2-Bromo-1-(3-nitrophenyl)ethan-1-one
IUPAC: 2-bromo-1-(3-nitrophenyl)ethanone
영어명: 3-Nitrophenacylbromide
분자식: C8H6BrNO3
분자량: 244.04

이름 및 동의어

2227-64-73-Nitrophenacyl bromide2-Bromo-1-(3-nitrophenyl)ethan-1-oneEINECS 218-764-0DTXSID00176815NSC 69855RefChem:465932DTXCID6099306218-764-02-Bromo-3'-nitroacetophenone2-Bromo-1-(3-nitrophenyl)ethanone3-Nitrophenacylbromide

이름 더 보기

2-BroMo-3&priMeAKOS BBS-00003963Alpha-Bromo-3'-nitroacetophenone3-NitrophenacylbromidLABOTEST-BB LT002331903'-NITROPHENACYL BROMIDEa-Bromo-3itroacetophenone

Ethanone, 2-bromo-1-(3-nitrophenyl)-Acetophenone, 2-bromo-3'-nitro-MFCD000245122-Bromo-1-(3-nitro-phenyl)-ethanonem-Nitrophenacyl bromide.alpha.-Bromo-3-nitroacetophenone.alpha.-Bromo-m-nitroacetophenone.omega.-Bromo-m-nitroacetophenone

데이터베이스 식별자

CAS: 2227-64-7
PubChem CID: 75213
DTXSID: DTXSID00176815
EC Number: 218-764-0
Nikkaji: J60.316C

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 62.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 214

물리화학적 성질

녹는점: 90 · 90-96 °C(lit.)
끓는 점: 288.6 · 288.6±15.0 °C(Predicted)
밀도: 1.8033 · 1.8033 (rough estimate)
굴절률: 1.609 · 1.6090 (estimate)
저장 조건: Inert atmosphere,Room Temperature
용해도: 메탄올에 용해됩니다.
물리적 상태: 결정성 분말
색상: 베이지-주황색에서 황록색까지
BRN: 610594 · 610594
InChI: 1S/C8H6BrNO3/c9-5-8(11)6-2-1-3-7(4-6)10(12)13/h1-4H,5H2
InChIKey: GZHPNIQBPGUSSX-UHFFFAOYSA-N
SMILES: [O-][N+](=O)c1cccc(c1)C(=O)CBr
NIST: 2 · 2-Bromo-3'-nitroacetophenone(2227-64-7)

화학적 성질

beige-orange to yellow-green crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1B (100%)

안전 데이터

wgk: 3
ridadr: UN 3261 8/PG 2
HS 번호: 29147000
risk_code: 34
hazard_code: C
safety_code: 26-27-28-36/37/39-45
포장분류: III
위험 등급: 8
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야

용도2-Bromo-3′-nitroacetophenone may be used in the preparation of 2-bromo-3′-nitroacetophenone. It may be used in the preparation of 2-hydroxy-ethyl-1-[(3-nitro-phenyl)-2-oxoethyl]-piperidinium bromide.

일반 설명Debromination of 2-bromo-3′-nitroacetophenone in various solvents has been reported.