2,2-Diphenylacetyl chloride

HCID 74637CAS 1871-76-7

기본 정보

표준 SMILES: O=C(Cl)C(c1ccccc1)c1ccccc1
InChIKey: MSYLETHDEIJMAF-UHFFFAOYSA-N
분자식: C14H11ClO
평균 분자량: 230.69 g/mol
단동위원소 질량: 230.04984265

이름 및 식별자

우선 이름: 2,2-Diphenylacetyl chloride
IUPAC: 2,2-diphenylacetyl chloride
영어명: Diphenylacetyl chloride
분자식: C14H11ClO
분자량: 230.69

이름 및 동의어

Diphenylacetyl chloride2,2-Diphenylacetyl chloridealpha-Phenylbenzeneacetyl chlorideEINECS 217-493-5NSC 120906UNII-6553C1CB9SBRN 12115886553C1CB9SNSC-120906DTXSID301719793-09-00-03300 (Beilstein Handbook Reference).ALPHA.-PHENYLBENZENEACETYL CHLORIDE

이름 더 보기

DpacEOS-61468DiphenylacetylTIMTEC-BB SBB006586diphenyl-acetylchloridDiphenylacetylChloride>diphenylaceticacidchloride2,2-diphenylacetylchloride

DIPHENYLACETIC ACID ACID CHLORIDE [MI]RefChem:81116DTXCID7094470DIPHENYLACETIC ACID ACID CHLORIDEMSYLETHDEIJMAF-UHFFFAOYSA-N1871-76-7Diphenylacetic acid chlorideAcetyl chloride, diphenyl-

데이터베이스 식별자

CAS: 1871-76-7
PubChem CID: 74637
DTXSID: DTXSID30171979
UNII: 6553C1CB9S
EC Number: 217-493-5
Nikkaji: J90.804E

물성

구조 계산 물성

XLogP: 4.1
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: 209

물리화학적 성질

녹는점: 49 · 49-53 °C (lit.)
끓는 점: 175 · 175-176 °C/17 mmHg (lit.)
밀도: 1.1223 · 1.1223 (rough estimate)
굴절률: 1.526 · 1.5260 (estimate)
인화점: 230 °F · >230 °F
저장 조건: 30 °C · Store below +30°C.
용해도: 클로로포름 (약간 용해됨), DMSO (약간 용해됨)
물리적 상태: 결정성 분말
색상: 약간 노란색
Merck: 14 · 14,3316
BRN: 1211588 · 1211588
InChI: InChI=1S/C14H11ClO/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H
InChIKey: MSYLETHDEIJMAF-UHFFFAOYSA-N
SMILES: C(C(Cl)=O)(C1C=CC=CC=1)C1=CC=CC=C1
NIST: Diphenylacetyl chloride(1871-76-7)

화학적 성질

SLIGHTLY YELLOWISH 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, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 10-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21746

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

안전 데이터

wgk: 2
rtecs: AO6750000
ridadr: UN 3261 8/PG 2
HS 번호: 29163900
risk_code: 34-36/37
hazard_code: C
safety_code: 26-27-28-36/37/39-45
포장분류: II
위험 등급: 8
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야

용도Diphenylacetyl Chloride is a reagent used in the synthesis of β-lactam estrogen receptor antagonists promoting antiproliferative and anti-tubulin polymerizatiion activity.