기본 정보
- 표준 SMILES
CC(C)(C)c1ccc(O)c(-n2nc3ccccc3n2)c1- InChIKey
WXHVQMGINBSVAY-UHFFFAOYSA-N- 분자식
- C16H17N3O
- 평균 분자량
- 267.33 g/mol
- 단동위원소 질량
- 267.13716216
이름 및 식별자
- 우선 이름
- Phenol, 2-(2H-benzotriazol-2-yl)-4-(1,1-dimethylethyl)-
- IUPAC
- 2-(benzotriazol-2-yl)-4-tert-butylphenol
- 현지명
- 2-(5-TERT-BUTYL-2-HYDROXYPHENYL)벤조트리아졸
- 영어명
- 2-(5-TERT-BUTYL-2-HYDROXYPHENYL)BENZOTRIAZOLE
- 분자식
- C16H17N3O
- 분자량
- 267.33
이름 및 동의어
3147-76-02-(2H-Benzotriazol-2-yl)-4-tert-butylphenolEINECS 221-574-0Phenol, 2-(2H-benzotriazol-2-yl)-4-(1,1-dimethylethyl)-DTXSID70628712-(2H-Benzotriazol-2-yl)-4-(1,1-dimethylethyl)phenolRefChem:860796DTXCID6038372221-574-02-(5-tert-Butyl-2-hydroxyphenyl)benzotriazole2-(2H-Benzo[d][1,2,3]triazol-2-yl)-4-(tert-butyl)phenol2-(benzotriazol-2-yl)-4-tert-butylphenol
이름 더 보기
2-(5-TERT-BUTYL-2-HYDROXYPHENYL)벤조트리아졸2-(benzotriazol-2-yl)-4-tert-butyl-phenol2-(2H-Benzotriazole-2-yl)-4-tert-butylphenol4-tert-Butyl-2-(2H-benzotriazole-2-yl)phenol2-(2-Hydroxy-5-tert-butylphenyl)2H-benzotriazole2-(5-tert-Butyl-2-hydroxyphenyl)benzotriazole>2-(2-Hydroxy-5-tert-butylphenyl)-2H-benzotriazole
MFCD038447952-(2-HYDROXY-5-TERT-BUTYLPHENYL)BENZOTRIAZOLE2-(2H-1,2,3-benzotriazol-2-yl)-4-tert-butylphenolUV-PS2-benzotriazol-2-yl-4-tert-butyl-phenolSCHEMBL78159153613-75-32-(2-hydroxy-5-tert-butylphenyl)-2H-benzotriazole
데이터베이스 식별자
- CAS
3147-76-0- PubChem CID
- 76605
- DTXSID
DTXSID7062871- EC Number
- 221-574-0
- Nikkaji
- J58.000G
물성
구조 계산 물성
- XLogP
- 5.6
- 극성 표면적
- 50.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 327
물리화학적 성질
- 녹는점
- 97 °C · 97°C
- 끓는 점
- 438.1 · 438.1±55.0 °C(Predicted)
- 밀도
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 8.07 · 8.07±0.43(Predicted)
- 색상
- 흰색에서 황백색까지
- EPA
- 2 · Phenol, 2-(2H-benzotriazol-2-yl)-4-(1,1-dimethylethyl)- (3147-76-0)
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Phenol, 2-(2H-benzotriazol-2-yl)-4-(1,1-dimethylethyl)-
Status: Cease Manufacture Update: 05-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/25544
Other Safety InformationIMAP assessments - Phenolic benzotriazoles: Environment tier II assessment
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- tsca
- TSCA listed
- HS 번호
- 2933.99.8210
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
- 기존화학 물질
- KE-02737
화학 및 산업
용도 및 제조
General Manufacturing InformationPhenol, 2-(2H-benzotriazol-2-yl)-4-(1,1-dimethylethyl)-: ACTIVE
상·하류 제품 정보
상류 원료
하류 제품
공급사30 곳
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