CAS 169280-06-2 4-(Cyclopropylcarbonyl)-alpha,alpha-dimethylbenzeneacetonitrile (HCID 23499845)

기본 정보

CAS: 169280-06-2
표준 SMILES: CC(C)(C#N)c1ccc(C(=O)C2CC2)cc1
InChIKey: OEGDIOHJCJQYBA-UHFFFAOYSA-N
분자식: C14H15NO
평균 분자량: 213.27 g/mol
단동위원소 질량: 213.1153641

이름 및 식별자

우선 이름: 4-(Cyclopropylcarbonyl)-alpha,alpha-dimethylbenzeneacetonitrile
IUPAC: 2-[4-(cyclopropanecarbonyl)phenyl]-2-methylpropanenitrile

이름 및 동의어

169280-06-2RefChem:2887724-(Cyclopropylcarbonyl)-alpha,alpha-dimethylbenzeneacetonitrile2-(4-(Cyclopropanecarbonyl)phenyl)-2-methylpropanenitrile2-(4-cyclopropanecarbonyl-phenyl)-2-methylpropionitrile2-[4-(cyclopropanecarbonyl)phenyl]-2-methylpropanenitrileSCHEMBL3673731OEGDIOHJCJQYBA-UHFFFAOYSA-NDTXSID3012051852-(4-cyclopropanecarbonyl-phenyl)-2-methyl-propionitrile4-(Cyclopropylcarbonyl)-alpha,alpha-Dimethylphenylacetonitrile4-(Cyclopropylcarbonyl)-I+/-,I+/--dimethylbenzeneacetonitrile

데이터베이스 식별자

CAS: 169280-06-2
PubChem CID: 23499845
DTXSID: DTXSID301205185
EC Number: 812-121-3

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 40.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 324

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P264, P270, P273, P301+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.