Benzenesulfonic acid, methyl-, compd. with 4,4-dimethyloxazolidine (1:1)
基本情報
- CAS
66375-36-8- 標準SMILES
CC1(C)COCN1.Cc1cccc(S(=O)(=O)O)c1- InChIKey
RGJCMMCMGCMXGB-UHFFFAOYSA-N- 分子式
- C7H8O3S.C5H11NO
- 平均分子量
- 273.35 g/mol
- 単同位体質量
- 273.10347926
名称と識別子
- 優先名称
- Benzenesulfonic acid, methyl-, compd. with 4,4-dimethyloxazolidine (1:1)
- IUPAC
- 4,4-dimethyl-1,3-oxazolidine;3-methylbenzenesulfonic acid
- 英語名
- 4,4-dimethyloxazolidinium toluenesulphonate
- 分子式
- C12H19NO4S
- 分子量
- 273.34856
名称と別名
EINECS 266-335-1RefChem:11807366375-36-84,4-Dimethyloxazolidinium toluenesulphonateYPCVMRVJOUNXMD-UHFFFAOYSA-NToluene-ar-sulfonic acid, compd. with 4,4-dimethyloxazolidineBenzenesulfonic acid, methyl-, compd. with 4,4-dimethyloxazolidine (1:1)
データベース識別子
- CAS
66375-36-8- PubChem CID
- 105361
- EC Number
- 266-335-1
物性
構造計算による物性
- 極性表面積
- 84 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 5
- 回転可能結合数
- 1
- 重原子数
- 18
- 形式電荷
- 0
- 複雑度
- 285
実験および物理化学的性質
Physical DescriptionLiquid
物理化学的性質
- EPAの化学物質情報
- 4 · Benzenesulfonic acid, methyl-, compd. with 4,4-dimethyloxazolidine (1:1) (66375-36-8)
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 ClassificationNot Classified
危険有害性情報
Regulatory Information
Chemical: Benzenesulfonic acid, methyl-, compound with 4,4-dimethyloxazolidine (1:1)
Benzenesulfonic acid, methyl-, compd. with 4,4-dimethyloxazolidine (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenesulfonic acid, methyl-, compd. with 4,4-dimethyloxazolidine (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Benzenesulfonic acid, methyl-, compd. with 4,4-dimethyloxazolidine (1:1): Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesNot Classified
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
U.S. Production2023: 50,000 - <250,000 lb
Industry UsesCatalyst
General Manufacturing Information
Paint and Coating Manufacturing
Benzenesulfonic acid, methyl-, compd. with 4,4-dimethyloxazolidine (1:1): ACTIVE
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