基本情報
- CAS
16066-35-6- 標準SMILES
CC(C)c1ccc(S(=O)(=O)O)cc1- InChIKey
CVLHGLWXLDOELD-UHFFFAOYSA-N- 分子式
- C9H12O3S
- 平均分子量
- 200.26 g/mol
- 単同位体質量
- 200.05071541
概要
4-(Propan-2-yl)benzenesulfonic acid is an organosulfur compound and a sulfonic acid derivative.
名称と識別子
- 優先名称
- 4-Isopropylbenzenesulfonic acid
- IUPAC
- 4-propan-2-ylbenzenesulfonic acid
- 英語名
- 2(or 4)-(isopropyl)benzenesulphonic acid
- 分子式
- 2C9H12O3S
- 分子量
- 400.514
名称と別名
4-isopropylbenzenesulfonic acid16066-35-6p-cumenesulfonic acidBenzenesulfonic acid, 4-(1-methylethyl)-DTXSID1044932C99924DK5BDTXCID9024932RefChem:1070992240-210-1p-Cumenesulphonic acidCumenesulphonic acid122838-93-1
名称をさらに表示
2(OR4)-(1-METHYLETHYL)-BENZENESULFONICACIBenzenesulfonic acid, 2(or 4)-(1-methylethyl)-
4-propan-2-ylbenzenesulfonic acid4-(Propan-2-Yl)Benzene-1-Sulfonic Acidp-isopropylbenzene sulfonic acid37953-05-2MFCD001372734-(Propan-2-yl)benzenesulfonic acid4-Cumenesulfonic acid2(Or 4)-(isopropyl)benzenesulphonic acid
データベース識別子
- CAS
16066-35-6、28631-63-2、37953-05-2- PubChem CID
- 6640
- DTXSID
DTXSID1044932- ChEBI
CHEBI:173469- UNII
- C99924DK5B
- EC Number
- 240-210-1、249-112-3、253-730-9
- Nikkaji
- J27.510G
物性
構造計算による物性
- XLogP
- 1.9
- 極性表面積
- 62.8 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
- 13
- 形式電荷
- 0
- 複雑度
- 243
実験および物理化学的性質
Physical DescriptionLiquid
Collision Cross Section147.5 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID6047523]
物理化学的性質
- EPAの化学物質情報
- 2 · Benzenesulfonic acid, 2(or 4)-(1-methylethyl)- (28631-63-2)
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
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 32 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H290 (100%): May be corrosive to metals [Warning Corrosive to Metals]
危険有害性情報
Regulatory Information
Chemical: Benzenesulfonic acid, 2(or 4)-(1-methylethyl)-
Chemical: Benzenesulfonic acid, 4-(1-methylethyl)-
Chemical: Benzenesulfonic acid, (1-methylethyl)-
Benzenesulfonic acid, (1-methylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenesulfonic acid, (1-methylethyl)- 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)
REACH registered substance: p-cumenesulphonic acid (EC: 240-210-1)
Benzenesulfonic acid, 2(or 4)-(1-methylethyl)-: 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.
Other Safety Information
Evaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Evaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
IMAP assessments - Benzenesulfonic acid, (1-methylethyl)-: Human health tier I assessment
Hazard Classes and Categories
Met. Corr. 1 (100%)
Skin Corr. 1C (100%)
安全データ
化学と産業
用途と製造
U.S. Production2022: 31,664 lb
Consumer UsesSurfactant (surface active agent)
Industry UsesProcessing aids, specific to petroleum production
General Manufacturing Information
Oil and Gas Drilling, Extraction, and Support activities
Benzenesulfonic acid, 4-(1-methylethyl)-: ACTIVE
Benzenesulfonic acid, 2(or 4)-(1-methylethyl)-: INACTIVE
Benzenesulfonic acid, (1-methylethyl)-: ACTIVE
サプライヤー48 社
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
常州科化生物科技有限公司
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