아제티딘,1-(클로로아세틸)-(9CI)

1-(Azetidin-1-yl)-2-chloroethan-1-one

HCID 2543159

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 63177-41-3
표준 SMILES: O=C(CCl)N1CCC1
InChIKey: DLDWKQVABUJWBD-UHFFFAOYSA-N
분자식: C5H8ClNO
평균 분자량: 133.57 g/mol
단동위원소 질량: 133.0294416

이름 및 식별자

우선 이름: 1-(Azetidin-1-yl)-2-chloroethan-1-one
IUPAC: 1-(azetidin-1-yl)-2-chloroethanone
현지명: 아제티딘,1-(클로로아세틸)-(9CI)
영어명: Azetidine, 1-(chloroacetyl)- (9CI)
분자식: C5H8ClNO
분자량: 133.58

이름 및 동의어

1-(azetidin-1-yl)-2-chloroethan-1-oneRefChem:427019819-142-763177-41-31-Azetidin-1-yl-2-chloro-ethanone1-(azetidin-1-yl)-2-chloroethanoneMFCD06361966Azetidine, 1-(chloroacetyl)- (9CI)1-(1-Azetidinyl)-2-chloro-ethanone1-(chloroacetyl)azetidine-2-chloroethanoneEthanone, 1-(1-azetidinyl)-2-chloro-

이름 더 보기

아제티딘,1-(클로로아세틸)-(9CI)1-Azetidin-1-Yl-2-Chloro-Ethanone(WX630209)1-(Azetidin-1-yl)-2-chloroethan-1-one - [A93680]

1-(Azetidin-1-yl)SCHEMBL2240231-(alpha-Chloroacetyl) azetidineDTXSID20368912DLDWKQVABUJWBD-UHFFFAOYSA-N1-azetidin-1-yl-2-chloroethanoneNCA177411-(azetidin-1-yl)-2-chloro-ethanone

데이터베이스 식별자

CAS: 63177-41-3
PubChem CID: 2543159
DTXSID: DTXSID20368912
EC Number: 819-142-7

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 20.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 101

물리화학적 성질

끓는 점: 242.2 · 242.2±23.0 °C(Predicted)
밀도: 1.276 · 1.276±0.06 g/cm3(Predicted)
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
산도 계수 (pKa): -0.95 · -0.95±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.