1-(4-클로로페닐)-1-사이클로부탄카보니트릴

1-(4-Chlorophenyl)cyclobutanecarbonitrile

HCID 98621

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 28049-61-8
표준 SMILES: N#CC1(c2ccc(Cl)cc2)CCC1
InChIKey: XQONXPWVIZZJIL-UHFFFAOYSA-N
분자식: C11H10ClN
평균 분자량: 191.65 g/mol
단동위원소 질량: 191.050177

이름 및 식별자

우선 이름: 1-(4-Chlorophenyl)cyclobutanecarbonitrile
IUPAC: 1-(4-chlorophenyl)cyclobutane-1-carbonitrile
현지명: 1-(4-클로로페닐)-1-사이클로부탄카보니트릴
영어명: 1-(4-Chlorophenyl)-1-cyclobutanecarbonitrile
분자식: C11H10ClN
분자량: 191.66

이름 및 동의어

1-(4-Chlorophenyl)cyclobutanecarbonitrile28049-61-8EINECS 248-799-7NSC 154613DTXSID30182328RefChem:74464DTXCID40104819248-799-71-(4-Chlorophenyl)-1-cyclobutanecarbonitrile1-(4-chlorophenyl)cyclobutane-1-carbonitrile1-(4-Chlorophenyl)cyclobutane CarbonitrileMFCD00065239

이름 더 보기

1-(4-클로로페닐)-1-사이클로부탄카보니트릴SIBU-1Sibutramine Impurity 34Sibutramine Impurity 131-(4-Chlorophenyl)cyclobutanecarbon1-CYANO-1-(4-CHLOROPHENYL)CYCLOBUTANE1-(4-chlorophenyl)cyclobutancarbonitrile

Cyclobutanecarbonitrile, 1-(4-chlorophenyl)-NSC-1546131-(4-Chlorophenyl)cyclobutanecarbonitrile; Sibutramine Hydrochloride Monohydrate Impurity F; Sibutramine Impurity FNSC154613CCBCSibutramine Impurity F1-(p-Chlorophenyl)cyclobutanecarbonitrile1-(4-Chlorophenyl)-cyclobutanecarbonitrile

데이터베이스 식별자

CAS: 28049-61-8
PubChem CID: 98621
DTXSID: DTXSID30182328
UNII: 35U5QL7HSY
EC Number: 248-799-7
Nikkaji: J250.638F

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 23.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 228

물리화학적 성질

끓는 점: 295 °C · 295 °C (lit.)
밀도: 1.137 g/mL · 1.137 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.548(lit.)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름(소량으로 용해), 메탄올(약간 용해됨)
물리적 상태: 기름
색상: 투명 무색 ~ 담황색
InChI: InChI=1S/C11H10ClN/c12-10-4-2-9(3-5-10)11(8-13)6-1-7-11/h2-5H,1,6-7H2
InChIKey: XQONXPWVIZZJIL-UHFFFAOYSA-N
SMILES: C1(C2=CC=C(Cl)C=C2)(C#N)CCC1

화학적 성질

Colourless Oil

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 2.1% (1 of 47) of reports.

Warning

H302 (97.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (97.9%)

안전 데이터

wgk: 3
ridadr: UN3276
HS 번호: 29269095
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 36-36/37/39-26
포장분류: III
위험 등급: 6.1
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도1-(4-Chlorophenyl)-1-cyclobutanecarbonitrile (1-(4-chlorophenyl)-1-cyanocyclobutane) can be used in the synthesis of pharmacologically active metabolites of the anti-obesity drug-sibutramine.

일반 설명1-(4-Chlorophenyl)-1-cyclobutanecarbonitrile is also referred as 1-(4-chlorophenyl)-1-cyanocyclobutane.