(3,5-Di-tert-butyl-4-hydroxyphenyl)acetonitrile

HCID 615568CAS 1611-07-0
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CC(C)(C)c1cc(CC#N)cc(C(C)(C)C)c1O
InChIKey
BEQZSRGZHCDMMH-UHFFFAOYSA-N
분자식
C16H23NO
평균 분자량
245.36 g/mol
단동위원소 질량
245.17796436

이름 및 식별자

우선 이름
(3,5-Di-tert-butyl-4-hydroxyphenyl)acetonitrile
IUPAC
2-(3,5-ditert-butyl-4-hydroxyphenyl)acetonitrile
영어명
3,5-DI-TERT-BUTYL-4-HYDROXYPHENYLACETONITRILE
분자식
C16H23NO
분자량
245.36

이름 및 동의어

1611-07-0(3,5-Di-tert-butyl-4-hydroxyphenyl)acetonitrileDTXSID70346841RefChem:207392DTXCID002979133,5-Di-Tert-Butyl-4-Hydroxyphenylacetonitrile2-(3,5-di-tert-butyl-4-hydroxyphenyl)acetonitrile2-(3,5-ditert-butyl-4-hydroxyphenyl)acetonitrileMFCD00156139Benzeneacetonitrile, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-3,5-Bis(tert-butyl)-4-hydroxyphenylacetonitrileSCHEMBL3798584
이름 더 보기
3,5-di-tert-butyl-4-hydroxybenzyl cyanide(3,5-DI-T-BUTYL-4-HYDROXYPHENYL)ACETONITRILE3,5-Di-tert-butyl-4-hydroxyphenylacetonitrile, 982-[3,5-DI(TERT-BUTYL)-4-HYDROXYPHENYL]ACETONITRILE
2-(3,5-DI(TERT-BUTYL)-4-HYDROXYPHENYL)ACETONITRILEAKOS022181905PS-75304-hydroxy-3,5-di-t-butylphenylacetonitrile4-hydroxy-3,5-di-t-butylphenyl-acetonitrileCS-0313276ST508259172,6-Bis(1,1-dimethylethyl)-4-cyanomethylphenol

데이터베이스 식별자

CAS
1611-07-0
PubChem CID
615568
DTXSID
DTXSID70346841
EC Number
678-838-7
Nikkaji
J723.711A

물성

구조 계산 물성

XLogP
4.6
극성 표면적
44 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
3
무거운 원자 수
18

물리화학적 성질

녹는점
104 °C · 104 °C
끓는 점
323 · 323.0±37.0 °C(Predicted)
밀도
0.991 · 0.991±0.06 g/cm3(Predicted)
저장 조건
2 · 2-8°C
산도 계수 (pKa)
11.67 · 11.67±0.40(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

안전 데이터

ridadr
3276
HS 번호
2926907090
risk_code
20/21/22
hazard_code
Xi
safety_code
22-36/37/39-45
포장분류
III

화학 및 산업

공급사13 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]

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