5-Chloro-2-(chloroacetamido)benzophenone

HCID 77635CAS 4016-85-7

기본 정보

표준 SMILES: O=C(CCl)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIKey: HDXLZRWEZZFDKA-UHFFFAOYSA-N
분자식: C15H11Cl2NO2
평균 분자량: 308.2 g/mol
단동위원소 질량: 307.016684

이름 및 식별자

우선 이름: 5-Chloro-2-(chloroacetamido)benzophenone
IUPAC: N-(2-benzoyl-4-chlorophenyl)-2-chloroacetamide
영어명: 2'-BENZOYL-2,4'-DICHLOROACETANILIDE
분자식: C15H11Cl2NO2
분자량: 308.16

이름 및 동의어

N-(2-Benzoyl-4-chlorophenyl)-2-chloroacetamideAcetamide, N-(2-benzoyl-4-chlorophenyl)-2-chloro-EINECS 223-678-12-(2'-Chloroacetamido)-5-chlorobenzophenoneNSC 270127BRN 0805212PN6505V1YMChloroacetamido chlorobenzophenone2-(2-Chloroacetamido)-5-chlorobenzophenoneNSC-270127DTXSID001931685-CHLORO-2-(CHLOROACETAMIDO)BENZOPHENONE

이름 더 보기

CCBAKOS BBS-00006348Alprazolam Impurity 3Alprazolam Impurity 8Alprazolam Impurity 142’-Benzoyl-2,4’-dichloroacetanilide

CHLOROACETAMIDO CHLOROBENZOPHENONE [USP IMPURITY]CHLOROACETAMIDO CHLOROBENZOPHENONE (USP IMPURITY)RefChem:534442DTXCID10115659223-678-14016-85-72'-Benzoyl-2,4'-dichloroacetanilide2-Chloroacetamido-5-chlorobenzophenone

데이터베이스 식별자

CAS: 4016-85-7
PubChem CID: 77635
DTXSID: DTXSID00193168
UNII: PN6505V1YM
EC Number: 223-678-1
Nikkaji: J23.135E

물성

구조 계산 물성

XLogP: 4.2
극성 표면적: 46.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 20
형식 전하: 0
복잡도: 356

물리화학적 성질

녹는점: 119 · 119-123 °C(lit.)
끓는 점: 537.2 · 537.2±50.0 °C(Predicted)
밀도: 1.375 · 1.375
용해도: 클로로포름 (소량), 메탄올 (소량, 가열)에 용해
물리적 상태: 고체
산도 계수 (pKa): 11.44 · 11.44±0.70(Predicted)
색상: 흰색에서 황백색까지
InChI: 1S/C15H11Cl2NO2/c16-9-14(19)18-13-7-6-11(17)8-12(13)15(20)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)
InChIKey: HDXLZRWEZZFDKA-UHFFFAOYSA-N
SMILES: ClCC(=O)Nc1ccc(Cl)cc1C(=O)c2ccccc2

화학적 성질

White Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

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

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

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.；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.