2-Chloro-5-nitrobenzophenone

HCID 118591CAS 34052-37-4

기본 정보

표준 SMILES: O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1Cl
InChIKey: HRPHZUAPQWJPCZ-UHFFFAOYSA-N
분자식: C13H8ClNO3
평균 분자량: 261.66 g/mol
단동위원소 질량: 261.0192708

이름 및 식별자

우선 이름: 2-Chloro-5-nitrobenzophenone
IUPAC: (2-chloro-5-nitrophenyl)-phenylmethanone
영어명: 2-Chloro-5-nitrobenzophenone
분자식: C13H8ClNO3
분자량: 261.66

이름 및 동의어

2-Chloro-5-nitrobenzophenone34052-37-4EINECS 251-811-3DTXSID50187658RefChem:469430DTXCID10110149251-811-3(2-Chloro-5-nitrophenyl)(phenyl)methanone(2-chloro-5-nitrophenyl)-phenylmethanoneMFCD000072955-Nitro-2-chlorobenzophenoneAKOS015903927

이름 더 보기

LABOTEST-BB LT001598002-Chloro-5-nitrobenzophenone >2-CHLORO-5-NITROBENZOPHENONE 99+%2-[4-[3-(2-chloro-6H-benzo[c][1,5]benzoxazepin-11-yl)propyl]-1-piperazinyl]ethanol

AS-11957D89456AE-562/434600942-chloro-5-nitrophenyl phenyl ketone2-chloro-5-nitro-benzophenone2-chloro-5-nitro-benzoMethanone, (2-chloro-5-nitrophenyl)phenyl-FT-0611833

데이터베이스 식별자

CAS: 34052-37-4
PubChem CID: 118591
DTXSID: DTXSID50187658
EC Number: 251-811-3
Nikkaji: J143.881F

물성

구조 계산 물성

XLogP: 3.7
극성 표면적: 62.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 18
형식 전하: 0
복잡도: 323

물리화학적 성질

녹는점: 83 · 83-85 °C(lit.)
끓는 점: 235 °C · 235°C (rough estimate)
밀도: 1.3227 · 1.3227 (rough estimate)
굴절률: 1.52 · 1.5200 (estimate)
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
색상: White to Orange to Green
InChI: 1S/C13H8ClNO3/c14-12-7-6-10(15(17)18)8-11(12)13(16)9-4-2-1-3-5-9/h1-8H
InChIKey: HRPHZUAPQWJPCZ-UHFFFAOYSA-N
SMILES: [O-][N+](=O)c1ccc(Cl)c(c1)C(=O)c2ccccc2

화학적 성질

light yellow to light brown crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesEye Irrit. 2 (97.6%)

안전 데이터

wgk: 3
ridadr: UN 3077 9/PG 3
HS 번호: 29147000
risk_code: 51/53
hazard_code: N
safety_code: 61
Hazard Classifications: Aquatic Chronic 2
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도2-Chloro-5-nitrobenzophenone is used as a reagent in the synthesis of bile acid transporter inhibitors in the treatment of atherosclerosis. Also used in the synthesis of antiinflammatory agents.