2-(4-메톡시페닐)-2-메틸프로판니트릴

2-(4-Methoxyphenyl)-2-methylpropanenitrile

HCID 219166CAS 5351-07-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1ccc(C(C)(C)C#N)cc1
InChIKey: CDCRUVGWQJYTFO-UHFFFAOYSA-N
분자식: C11H13NO
평균 분자량: 175.23 g/mol
단동위원소 질량: 175.09971404

이름 및 식별자

우선 이름: 2-(4-Methoxyphenyl)-2-methylpropanenitrile
IUPAC: 2-(4-methoxyphenyl)-2-methylpropanenitrile
현지명: 2-(4-메톡시페닐)-2-메틸프로판니트릴
영어명: 2-(4-Methoxyphenyl)-2-methylpropanenitrile
분자식: C11H13NO
분자량: 175.23

이름 및 동의어

2-(4-methoxyphenyl)-2-methylpropanenitrileDTXSID50276955RefChem:457928DTXCID90228115684-407-45351-07-5MFCD002298682-(4-Methoxyphenyl)-2-methylpropionitrileBenzeneacetonitrile,4-methoxy-a,a-dimethyl-2-(4-methoxy-phenyl)-2-methyl-propionitrileNSC98SCHEMBL989065

이름 더 보기

2-(4-메톡시페닐)-2-메틸프로판니트릴Benzeneacetonitrile, 4-methoxy-α,α-dimethyl-

NSC-98CDCRUVGWQJYTFO-UHFFFAOYSA-NSBB055157AKOS010213991DS-2885SY002170TS-024262-(4-methoxyphenyl)-2-methyl-propionitrile

데이터베이스 식별자

CAS: 5351-07-5
PubChem CID: 219166
DTXSID: DTXSID50276955
EC Number: 684-407-4
Nikkaji: J1.259.844K

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 33 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 205

물리화학적 성질

끓는 점: 111 · 111-113 °C
밀도: 1.009 · 1.009±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.；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.