4'-Chloro-2-phenylacetophenone

HCID 233840CAS 1889-71-0

기본 정보

표준 SMILES: O=C(Cc1ccccc1)c1ccc(Cl)cc1
InChIKey: DXVALSKCLLBZEB-UHFFFAOYSA-N
분자식: C14H11ClO
평균 분자량: 230.69 g/mol
단동위원소 질량: 230.0498427

이름 및 식별자

우선 이름: 4'-Chloro-2-phenylacetophenone
IUPAC: 1-(4-chlorophenyl)-2-phenylethanone
영어명: 4'-Chloro-2-phenylacetophenone
분자식: C14H11ClO
분자량: 230.69

이름 및 동의어

4'-Chloro-2-phenylacetophenoneRefChem:506048606-161-9Benzyl 4-chlorophenyl ketone1889-71-01-(4-chlorophenyl)-2-phenylethanone4-Chlorodeoxybenzoin1-(4-chlorophenyl)-2-phenylethan-1-oneMFCD00016342Ethanone, 1-(4-chlorophenyl)-2-phenyl-4/'-Chloro-2-phenylacetophenone1-(4-chlorophenyl)-2-phenyl-ethanone

이름 더 보기

CHLORODEOXYBENZOINCHLOROPHENYL KETONE4-ChlorodeoxybenzoineDEOXY-4-CHLOROBENZOIN4-CHLOROPHENYLBENZYL KETONE-Chloro-2-phenylacetophenone

4-CHLORODESOXY BENZOINNSC99455Benzyl4-chlorophenylketonebenzyl p-chlorophenyl ketonebenzyl(p-chlorophenyl)ketone4-chlorophenyl benzyl ketoneNCIOpen2_006717MLS000851416

데이터베이스 식별자

CAS: 1889-71-0
PubChem CID: 233840
DTXSID: DTXSID10283680
ChEMBL: CHEMBL1428298
EC Number: 606-161-9
Nikkaji: J469.936J

물성

구조 계산 물성

XLogP: 3.8
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 225

물리화학적 성질

녹는점: 103 · 103-107 °C(lit.)
끓는 점: 187 °C/8mmHg · 187°C/8mmHg(lit.)
밀도: 1.191 · 1.191±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to crystal
색상: White to Orange to Green
BRN: 976443 · 976443
InChI: InChI=1S/C14H11ClO/c15-13-8-6-12(7-9-13)14(16)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey: DXVALSKCLLBZEB-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC=C(Cl)C=C1)CC1=CC=CC=C1

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 2.3% (1 of 43) of reports.

Danger

H317 (95.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (95.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P261, P264+P265, P272, P280, P302+P352, P305+P354+P338, P317, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 43 reports by companies.；There are 3 notifications provided by 42 of 43 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesSkin Sens. 1 (95.3%)；Eye Dam. 1 (95.3%)

안전 데이터

wgk: 3
ridadr: UN 3077 9/PG 3
HS 번호: 2914790090
risk_code: 41-43-51/53
hazard_code: Xi,N
safety_code: 26-39-60-61
포장분류: Ⅲ
위험 등급: 9
Hazard Classifications: Eye Dam. 1Skin Sens. 1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도4'-Chloro-2-phenylacetophenone is used in organic synthesis and experimental research.

상·하류 제품 정보

상류 원료

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

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