4-메톡시-2-메틸페닐아세토니트릴

2-(4-Methoxy-2-methylphenyl)acetonitrile

HCID 3801024

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 262298-02-2
표준 SMILES: COc1ccc(CC#N)c(C)c1
InChIKey: IXOPCMZOHYZDMX-UHFFFAOYSA-N
분자식: C10H11NO
평균 분자량: 161.2 g/mol
단동위원소 질량: 161.08406397

이름 및 식별자

우선 이름: 2-(4-Methoxy-2-methylphenyl)acetonitrile
IUPAC: 2-(4-methoxy-2-methylphenyl)acetonitrile
현지명: 4-메톡시-2-메틸페닐아세토니트릴
영어명: 4-Methoxy-2-methylphenylacetonitrile
분자식: C10H11NO
분자량: 161.2

이름 및 동의어

2-(4-methoxy-2-methylphenyl)acetonitrileRefChem:457882607-891-04-Methoxy-2-methylphenylacetonitrile262298-02-2Benzeneacetonitrile, 4-methoxy-2-methyl-MFCD021783882-METHYL-4-METHOXYPHENYLACETONITRILESCHEMBL1237862DTXSID603966132-(4-methoxy-2-methyl-phenyl)acetonitrile4-Methoxy-2-methylbenzyl cyanide

이름 더 보기

4-메톡시-2-메틸페닐아세토니트릴4-methoxy-2-methylphenylaccetonitrile4-Methoxy-2-Methyl-Benzeneacetonitrile

IXOPCMZOHYZIXOPCMZOHYZDMX-UHFFFAOYSA-NCL8765AKOS006280230(4-methoxy-2-methylphenyl)acetonitrileSY106580TS-02149DB-006856

데이터베이스 식별자

CAS: 262298-02-2
PubChem CID: 3801024
DTXSID: DTXSID60396613
EC Number: 607-891-0

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 33 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 182

물리화학적 성질

끓는 점: 291.4 · 291.4±25.0 °C(Predicted)
밀도: 1.033 · 1.033±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H311 (50%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H331 (50%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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.