3,5-DI-TERT-BUTYL-4-히드록시벤조니트릴

Benzonitrile, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-

HCID 137274CAS 1988-88-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(C)c1cc(C#N)cc(C(C)(C)C)c1O
InChIKey: AKXIIOLURNATOC-UHFFFAOYSA-N
분자식: C15H21NO
평균 분자량: 231.33 g/mol
단동위원소 질량: 231.16231429

이름 및 식별자

우선 이름: Benzonitrile, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-
IUPAC: 3,5-ditert-butyl-4-hydroxybenzonitrile
현지명: 3,5-DI-TERT-BUTYL-4-히드록시벤조니트릴
영어명: 3,5-DI-TERT-BUTYL-4-HYDROXYBENZONITRILE
분자식: C15H21NO
분자량: 231.33

이름 및 동의어

1988-88-1Benzonitrile, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-DTXSID90173636RefChem:1079341DTXCID70961273,5-di-tert-butyl-4-hydroxybenzonitrile3,5-Ditert-butyl-4-hydroxybenzonitrile3,5-Di(tert-butyl)-4-hydroxybenzonitrileBenzonitrile, 3,5-di-tert-butyl-4-hydroxy-MFCD001561373,5-Bis(tert-butyl)-4-hydroxybenzonitrile3,5-bis(tert-butyl)-4-hydroxybenzenecarbonitrile

이름 더 보기

3,5-DI-TERT-BUTYL-4-히드록시벤조니트릴AKOS B0042374-Cyano-2,6-di-tert-butylphenol2,6-Bis(tert-butyl)-4-cyanophenol3,5-Bis(tert-butyl)-4-hydroxybenzonitrile 97%3,5-Bis(1,1-Dimethylethyl)-4-Hydroxy-BenzonitrileBenzonitrile,3,5-bis(1,1-diMethylethyl)-4-hydroxy-

CHEMBL225219SCHEMBL3578249NIOSH/DI2459780HMS1577J04NSC226258SBB019892STK3468053,5-Di-t-butyl-4-hydroxybenzonitrile

데이터베이스 식별자

CAS: 1988-88-1
PubChem CID: 137274
DTXSID: DTXSID90173636
ChEMBL: CHEMBL225219
EC Number: 678-672-5
Nikkaji: J414.220I

물성

구조 계산 물성

XLogP: 4.6
극성 표면적: 44 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 17
형식 전하: 0
복잡도: 288

물리화학적 성질

녹는점: 144 °C · 144 °C
물리적 상태: 결정성 분말
색상: 연노랑

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (80%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.