CAS 3556-60-3 3-Methoxy-4-methylbenzonitrile (HCID 14752994)

기본 정보

CAS: 3556-60-3
표준 SMILES: COc1cc(C#N)ccc1C
InChIKey: QLJZMAGXHHXXMS-UHFFFAOYSA-N
분자식: C9H9NO
평균 분자량: 147.17 g/mol
단동위원소 질량: 147.06841391

이름 및 식별자

우선 이름: 3-Methoxy-4-methylbenzonitrile
IUPAC: 3-methoxy-4-methylbenzonitrile
현지명: 3-메톡시4-메틸렌조니트릴
영어명: 3-Methoxy-4-methylbenzonitrile
분자식: C9H9NO
분자량: 147.17

이름 및 동의어

3-Methoxy-4-methylbenzonitrile3556-60-3DTXSID70563637RefChem:94589DTXCID80514413609-141-8MFCD03428590Benzonitrile, 3-methoxy-4-methyl-4-Cyano-2-methoxytoluene3-methoxy-4-methylcyano-benzene3-Methoxy-4-methyl-benzonitrileCS-W018208

이름 더 보기

3-메톡시4-메틸렌조니트릴4-Methyl-3-methoxybenzonitrile3-Methoxy-4-methylbenzonitrile>Benzonitrile, 3-methoxy-4-methyl-3-Methoxy-4-methylbenzonitrile 98%3-Methoxy-4-Chemicalbookmethylbenzonitrile98%3556-60-3 C9H9NO 3-METHOXY-4-METHYLBENZONITRILE4-Cyano-2-methoxytoluene 5-Cyano-2-methylanisole

SY037608M19775-Cyano-2-methylanisoleZ1079179078AMY4412A21200m-Anisonitrile, 4-methyl-WJ88TMU7T4

데이터베이스 식별자

CAS: 3556-60-3
PubChem CID: 14752994
DTXSID: DTXSID70563637
UNII: WJ88TMU7T4
EC Number: 609-141-8
Nikkaji: J3.706.225A

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: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 170

물리화학적 성질

녹는점: 51 · 51-52.5℃
끓는 점: 247.2 · 247.2±28.0℃ (760 Torr)
밀도: 1.06 · 1.06±0.1 g/cm3 (20 ºC 760 Torr)
인화점: 102.9 · 102.9±17.9℃
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to crystal
색상: 흰색에서 밝은 노란색

화학적 성질

Class white powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (66.7%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.