CAS 69267-75-0 2-Bromo-1-cyclopropylethan-1-one (HCID 10920841)

기본 정보

CAS: 69267-75-0
표준 SMILES: O=C(CBr)C1CC1
InChIKey: WCCCDMWRBVVYCQ-UHFFFAOYSA-N
분자식: C5H7BrO
평균 분자량: 163.01 g/mol
단동위원소 질량: 161.96802694

이름 및 식별자

우선 이름: 2-Bromo-1-cyclopropylethan-1-one
IUPAC: 2-bromo-1-cyclopropylethanone
현지명: 에타논,2-BROMO-1-CYCLOPROPYL-
영어명: Ethanone, 2-bromo-1-cyclopropyl-
분자식: C5H7BrO
분자량: 163.01

이름 및 동의어

2-bromo-1-cyclopropylethan-1-oneRefChem:466072818-565-42-bromo-1-cyclopropylethanone69267-75-0Ethanone, 2-Bromo-1-Cyclopropyl-2-bromo-1-cyclopropyl-ethanoneMFCD08460238BROMOMETHYL CYCLOPROPYL KETONECYCLOPROPYL BROMOMETHYL KETONE1-Cyclopropyl-2-bromoethanone1-bromomethyl cyclopropyl ketone

이름 더 보기

에타논,2-BROMO-1-CYCLOPROPYL-2-BROMO-1-CYCLOPROPYL ETHANONEBromoacetylcyclopropaneCyclopropylbromomethylketone2-bromo-1-cyclopropyl ethenone2-Bromomethyl Cyclopropylketone

bromomethyl cyclopropylketoneSTL582226AS-18504CS-0030783F2158-11142-Bromo-1-Cycloproplyethan-1-One(BROMOACETYL)CYCLOPROPANE(Bromoacetyl)cyclopropane; Bromomethyl Cyclopropyl Ketone; Cyclopropyl Bromomethyl Ketone

데이터베이스 식별자

CAS: 69267-75-0
PubChem CID: 10920841
DTXSID: DTXSID80448325
UNII: XX2S6XG85K
EC Number: 818-565-4
Nikkaji: J1.942.962H

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 7
형식 전하: 0
복잡도: 86.1

물리화학적 성질

끓는 점: 60 · 60-65 °C(Press: 10 Torr)
밀도: 1.669 · 1.669
굴절률: 1.543 · 1.543
저장 조건: -20 °C · Inert atmosphere,Store in freezer, under -20°C
용해도: 에 용해됨클로로포름, 아세트산에틸 (약간 용해됨)
물리적 상태: 액체
색상: 투명 무색
InChI: 1S/C5H7BrO/c6-3-5(7)4-1-2-4/h4H,1-3H2
InChIKey: WCCCDMWRBVVYCQ-UHFFFAOYSA-N
SMILES: O=C(C1CC1)CBr

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (80%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (80%)

안전 데이터

wgk: WGK 3
ridadr: UN 2811 6.1 / PGIII
HS 번호: 2914790090
risk_code: 36
safety_code: 26
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects