2-(5-클로로-2H-벤조트리아졸-2-일)-6-(1,1-디메틸에틸)-4-메틸 페놀
Tinuvin
기본 정보
- CAS
3896-11-5- 표준 SMILES
Cc1cc(-n2nc3ccc(Cl)cc3n2)c(O)c(C(C)(C)C)c1- InChIKey
OCWYEMOEOGEQAN-UHFFFAOYSA-N- 분자식
- C17H18ClN3O
- 평균 분자량
- 315.8 g/mol
- 단동위원소 질량
- 315.1138399
개요
Bumetrizole is a small molecule drug. Bumetrizole has a monoisotopic molecular weight of 315.11 Da.
이름 및 식별자
- 우선 이름
- Tinuvin
- IUPAC
- 2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-methylphenol
- 현지명
- 2-(5-클로로-2H-벤조트리아졸-2-일)-6-(1,1-디메틸에틸)-4-메틸 페놀
- 영어명
- UV Absorber 326
- 분자식
- C17H18ClN3O
- 분자량
- 315.8
이름 및 동의어
Tinuvin2-(2'-Hydroxy-3'-tert-butyl-5'-methylphenyl)-5-chlorobenzotriazoleRefChem:570489BUMETRIZOLE3896-11-52-(tert-Butyl)-6-(5-chloro-2H-benzo[d][1,2,3]triazol-2-yl)-4-methylphenolTinuvin 3262-(5-Chloro-2-benzotriazolyl)-6-tert-butyl-p-cresolBumetrizolUV-3262-tert-Butyl-6-(5-chloro-2H-benzotriazol-2-yl)-4-methylphenolDTXSID9036438
이름 더 보기
2-(5-클로로-2H-벤조트리아졸-2-일)-6-(1,1-다이메틸에틸)-4-메틸페놀2-(5-클로로-2H-벤조트리아졸-2-일)-6-(1,1-디메틸에틸)-4-메틸페놀부메트라이졸자외선흡수제UV-3262-(2-HYDROXY-3-TERT-BUTYL-5-METHYLPHENYL)-5-CHLOROBENZOTRIAZOLE2-(3-tert-Butyl-2-hydroxy-5-methylphenyl)-5-chloro-2H-benzotriazoleSumisorb 300ULTRAVIOLET ABSORBENT UV-326
2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-methylphenolPhenol, 2-(5-chloro-2H-benzotriazol-2-yl)-6-(1,1-dimethylethyl)-4-methyl-2-tert-Butyl-6-(5-chloro-2H-benzotriazol-2-yl)-p-cresolMFCD000597077ZF18Q354WTox21_112379NCGC00166260-012-(2'-Hydroxy-3'-t-butyl-5'-methylphenyl)-5-chlorobenzotriazole
데이터베이스 식별자
- CAS
3896-11-5- PubChem CID
- 62531
- DTXSID
DTXSID9036438- ChEMBL
CHEMBL1880325- UNII
- 7ZF18Q354W
- EC Number
- 223-445-4
- Nikkaji
- J8.273B
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
- 22
- 형식 전하
- 0
- 복잡도
- 400
실험 및 물리화학적 성질
Chemical ClassesUV filter
Polymers
Plastics -> Polyolefin-I; PUR; Polyolefin-II; PVC (soft); ABS; PVC (rigid); PC; (E)PS
Plastics -> Light stabilisers
Cosmetics
Cosmetics ingredient -> Fragrance
Uv absorber
FragrancesFragrance Ingredient (Phenol, 2-(5-chloro-2H-benzotriazol-2-yl)-6-(1,1-dimethylethyl)-4-methyl-) -> IFRA transparency List
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Collision Cross Section183.2 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID9036438]
물리화학적 성질
- 녹는점
- 144 · 144-147 °C(lit.)
- 끓는 점
- 460.4 · 460.4±55.0 °C(Predicted)
- 밀도
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- 증기압
- 0 Pa · 0Pa at 20℃
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 9.31 · 9.31±0.48(Predicted)
- 색상
- 연한 노란색에서 밝은 노란색까지
- 수용성
- 4 μg/L · 4μg/L at 20℃
- 화장품 원료 기능
- 광안정기
- InChI
- InChI=1S/C17H18ClN3O/c1-10-7-12(17(2,3)4)16(22)15(8-10)21-19-13-6-5-11(18)9-14(13)20-21/h5-9,22H,1-4H3
- InChIKey
- OCWYEMOEOGEQAN-UHFFFAOYSA-N
- SMILES
- C1(O)=C(C(C)(C)C)C=C(C)C=C1N1N=C2C=C(Cl)C=CC2=N1
- LogP
- 6.58 · 6.580 (est)
- EPA
- 2 · 2-tert-Butyl-6-(5-chloro-2H-benzotriazol-2-yl)-p-cresol (3896-11-5)
화학적 성질
Pale Yellow Solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 11.4% (241 of 2118) of reports.
H413 (78.7%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2118 reports by companies from 13 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Phenol, 2-(5-chloro-2H-benzotriazol-2-yl)-6-(1,1-dimethylethyl)-4-methyl-
Hazard Traits - Bioaccumulation; Environmental Persistence
REACH registered substance: Bumetrizole (EC: 223-445-4)
Substance: Bumetrizole (UV-326)
Bumetrizole: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Phenolic benzotriazoles: Environment tier II assessment
Hazard Classes and CategoriesAquatic Chronic 4 (78.7%)
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- HS 번호
- 29339900
- risk_code
- 36/37/38-53
- hazard_code
- Xi
- safety_code
- 26-36-61
- 기존화학 물질
- KE-05537
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
UsesPlastics -> Typical concentration range in plastic materials -> 0.3 - 1.0%
Household ProductsCosmetics product ingredient: Bumetrizole (UV-326)
Use Classification
Fragrance Ingredients
Cosmetics -> Uv absorber
Plastics -> Polymer Type -> Polyolefin-I; PUR; Polyolefin-II; PVC (soft); ABS; PVC (rigid); PC; (E)PS
Plastics -> Light stabilisers
General Manufacturing InformationPhenol, 2-(5-chloro-2H-benzotriazol-2-yl)-6-(1,1-dimethylethyl)-4-methyl-: ACTIVE
응용 분야
용도Bumetrizole is an intermediate reactant in the synthesis of UV light absorbers for polyester fibers.
일반 설명2-tert-Butyl-6-(5-chloro-2H-benzotriazol-2-yl)-4-methylphenol (UV-326) is a benzotriazole based UV absorber that can be used in the photostabilization of industrial materials. It can absorb the harmful UV radiation for the wavelength of about 290 nm.
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