Basic information
- CAS
2494-88-4- Standard SMILES
Nc1cccc(S(=O)(=O)CCOS(=O)(=O)O)c1- InChIKey
BCLOBWIFURSERL-UHFFFAOYSA-N- Molecular formula
- C8H11NO6S2
- Average molar mass
- 281.3 g/mol
- Monoisotopic mass
- 281.00277907
Names & identifiers
- Preferred name
- 2-((3-Aminophenyl)sulphonyl) hydrogensulphate
- IUPAC
- 2-(3-aminophenyl)sulfonylethyl hydrogen sulfate
- English name
- 2-[(3-aminophenyl)sulphonyl] hydrogensulphate
- Molecular formula
- C8H11NO6S2
- Molecular weight
- 281.31
Names & synonyms
2494-88-42-((3-Aminophenyl)sulphonyl) hydrogensulphateEINECS 219-668-1QSF937M69HDTXSID90179658EC 219-668-12-[(3-aminophenyl)sulphonyl] hydrogensulphate2-((3-AMINOPHENYL)SULPHONYL) HYDROGENSULFATERefChem:448109DTXCID50102149219-668-12-(3-aminophenyl)sulfonylethyl hydrogen sulfate
Show more names
meta-esterm-(SulfesterethylSulfone)AnilineM-(β-hydroxyethyl fulfone) aniline2-(3-aminophenylsulfony)ethyl hydrogen sulfate2-(3-azanylphenyl)sulfonylethyl hydrogen sulfateSulfuric acid 2-(3-aminophenylsulfonyl)ethyl ester2-[(3-Aminophenyl)-sulfonyl]-ethyl hydrogen sulfate2-[(3-Aminophenyl)Sulfonyl]-Ethanol Hydrogen Sulphate2-[(3-Aminophenyl)sulfonyl]ethyl hydrogen sulfate (85%)
2-[(3-aminophenyl)sulfonyl]ethyl hydrogen sulfateEthanol, 2-[(3-aminophenyl)sulfonyl]-, 1-(hydrogen sulfate)2-((3-Aminophenyl)sulfonyl)ethyl hydrogen sulfate[2-(3-aminobenzenesulfonyl)ethoxy]sulfonic acidUNII-QSF937M69HSCHEMBL1357506SCHEMBL8815829BCLOBWIFURSERL-UHFFFAOYSA-N
Database identifiers
- CAS
2494-88-4- PubChem CID
- 75614
- DTXSID
DTXSID90179658- UNII
- QSF937M69H
- EC Number
- 219-668-1
- Nikkaji
- J33.665C
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 432
Physicochemical properties
- Density
- 1.608 · 1.608±0.06 g/cm3(Predicted)
- vapor pressure
- 0 · 0-0Pa at 25℃
- form
- Solid
- pka
- -3.89 · -3.89±0.18(Predicted)
- Dissociation constant
- 0.005 · 0.005-0.006 at 25℃
- FDA UNII
- 937 M69H · QSF937M69H
- REACH Registrations
- Inactive
Safety & regulation
Hazard information
Regulatory InformationREACH registered substance: 2-[(3-aminophenyl)sulphonyl] hydrogensulphate (EC: 219-668-1)
Safety data
- REACH Registrations
- Inactive
Chemistry & industry
Applications
Uses2-[(3-Aminophenyl)sulphonyl] hydrogensulphate is used as a dye intermediate.
Upstream & downstream products
Downstream products
Suppliers19 total
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd[email protected]
深圳市思美泉生物科技有限公司17683743113;18038040196 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
石家庄麟鑫化工有限公司0311-86097771 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
湖北美索伦科技有限公司13419562052 13419562052 · [email protected]
SUZHOU SENFEIDA CHEMICAL CO.,LTD+86-0512-83500002 +86-15195660023 · [email protected]
河南广沃新材料有限公司15225201380 18336995067 · [email protected]
广东翁江化学试剂有限公司0751-2815983 13927872582 · [email protected]
榆林润天畅化工有限责任公司15890142075 15890142075 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
杭州海蓝化工有限公司+86-57156122185 +86-15967590394 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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