1-(3,4-디클로로페닐)시클로부탄카르보니트릴

1-(3,4-Dichlorophenyl)-1-cyclobutane-carbonitrile

HCID 10857134CAS 84467-19-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: N#CC1(c2ccc(Cl)c(Cl)c2)CCC1
InChIKey: CTKUIZGFDSJHPY-UHFFFAOYSA-N
분자식: C11H9Cl2N
평균 분자량: 226.1 g/mol
단동위원소 질량: 225.0112047

이름 및 식별자

우선 이름: 1-(3,4-Dichlorophenyl)-1-cyclobutane-carbonitrile
IUPAC: 1-(3,4-dichlorophenyl)cyclobutane-1-carbonitrile
현지명: 1-(3,4-디클로로페닐)시클로부탄카르보니트릴
영어명: 1-(3,4-Dichlorophenyl)cyclobutanecarbonitrile
분자식: C11H9Cl2N
분자량: 226.1

이름 및 동의어

84467-19-61-(3,4-dichlorophenyl)-1-cyclobutane-carbonitrileRefChem:422766632-890-71-(3,4-dichlorophenyl)cyclobutanecarbonitrile1-(3,4-Dichlorophenyl)-1-cyclobutanecarbonitrileMFCD097434441-(3,4-dichlorophenyl)cyclobutane-1-carbonitrileCTKUIZGFDSJHPY-UHFFFAOYSA-NAKOS009343568AB90509AC-30065

이름 더 보기

1-(3,4-디클로로페닐)시클로부탄카르보니트릴1-(3,4-dichlorophenyl)cyclobutanemethylnitrile

CS-12507SY060469DB-353895CS-00386101-(3,4-dichlorophenyl)cyclobutane carbonitrile1-(3,4-dichlorophenyl) -cyclobutanecarbonitrileEN300-1981240Cyclobutanecarbonitrile, 1-(3,4-dichlorophenyl)-

데이터베이스 식별자

CAS: 84467-19-6
PubChem CID: 10857134
EC Number: 632-890-7

물성

구조 계산 물성

XLogP: 3.7
극성 표면적: 23.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 264

물리화학적 성질

저장 조건: 2 · Storage temp. 2-8°C

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

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

Aggregated GHS information provided per 39 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Acute Tox. 4 (100%)

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

응용 분야 · 1건

용도1-(3,4-Dichlorophenyl)cyclobutanecarbonitrile is an intermediate in the synthesis of Chloro-sibutramine hydrochloride (C370150) which is a reagent used in the preparation of substituted cyclobutanes and their pharmaceutical compositions with antidepressant activity.