基本情報
- CAS
85497-36-5- 標準SMILES
Cc1cc(-n2nc3ccc(Cl)cc3n2)c(O)c(C(C)(C)C)c1- InChIKey
OCWYEMOEOGEQAN-UHFFFAOYSA-N- 分子式
- C17H18ClN3O
- 平均分子量
- 315.8 g/mol
概要
Bumetrizole is a small molecule drug. Bumetrizole has a monoisotopic molecular weight of 315.11 Da.
名称と識別子
- 優先名称
- Tinuvin
- IUPAC
- 2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-methylphenol
- 英語名
- 2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-tert-butyl-phenol
- 分子式
- C17H18ClN3O
- 分子量
- 0
名称と別名
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-cresolUV-326Bumetrizol2-tert-Butyl-6-(5-chloro-2H-benzotriazol-2-yl)-4-methylphenolDTXSID9036438
名称をさらに表示
2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-tert-butyl-phenol
C17H18ClN3OMFCD00059707Phenol, 2-(5-chloro-2H-benzotriazol-2-yl)-6-(1,1-dimethylethyl)-4-methyl-2-tert-Butyl-6-(5-chloro-2H-benzotriazol-2-yl)-p-cresol2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-methylphenol7ZF18Q354W2-tert-Butyl-6-(5-chloro-2H-1,2,3-benzotriazol-2-yl)-4-methylphenolTox21_112379
データベース識別子
- CAS
85497-36-5- ChEMBL
CHEMBL1880325- UNII
- 7ZF18Q354W
- EC Number
- 223-445-4
- Nikkaji
- J8.273B
物性
構造計算による物性
- XLogP
- 5.6
- 極性表面積
- 50.9 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 3
- 回転可能結合数
- 2
- 重原子数
- 22
- 形式電荷
- 0
- 複雑度
- 400
実験および物理化学的性質
Chemical ClassesUV filter
Polymers
Plastics -> Polyolefin-I; PUR; Polyolefin-II; PVC (soft); ABS; PVC (rigid); PC; (E)PS
Plastics -> Light stabilisers
CosmeticsUv 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]
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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.
危険有害性情報
Regulatory Information
Chemical: Phenol, 2-(5-chloro-2H-benzotriazol-2-yl)-6-(1,1-dimethylethyl)-4-methyl-
Hazard Traits - Bioaccumulation; Environmental Persistence
Status: Active Update: 28-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5785
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%)
化学と産業
用途と製造
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
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