Basic information
- CAS
5246-58-2- Standard SMILES
Nc1ccc(S(=O)(=O)CCO)cc1- InChIKey
CSCNRHJJGXZFGX-UHFFFAOYSA-N- Molecular formula
- C8H11NO3S
- Average molar mass
- 201.25 g/mol
- Monoisotopic mass
- 201.04596439
Names & identifiers
- Preferred name
- 2-((P-Aminophenyl)sulfonyl)ethanol
- IUPAC
- 2-(4-aminophenyl)sulfonylethanol
- English name
- 2-[(p-aminophenyl)sulphonyl]ethanol
- Molecular formula
- C8H11NO3S
- Molecular weight
- 201.24
Names & synonyms
2-((p-Aminophenyl)sulphonyl)ethanol2-[(p-aminophenyl)sulphonyl]ethanolXN6MM7B3VE2-((p-Aminophenyl)sulfonyl)ethanol2-((4-aminophenyl)sulfonyl)ethanolEINECS 226-047-9NSC-82290Ethanol, 2-((4-aminophenyl)sulfonyl)-Ethanol, 2-[(4-aminophenyl)sulfonyl]-DTXSID30200455NSC 822902-((4-AMINOPHENYL)SULPHONYL)ETHANOL
Show more names
2-(p-Aminophenylsulfonyl)ethanol4-(2-Hydroxyethylsulfonyl)anilineAMINOSULPHONEB(P-BASEDERIVATIVES)[(4-Aminophenyl)-sulfonyl]-ethanol2-((4-aMinobenzyl)sulfonyl)ethanol-[(4-Aminophenyl)-sulfonyl]-ethanol2-(4-Amino-benzenesulfonyl)-ethanol4-Aminophenyl 2-hydroxyethyl sulfone
ETHANOL, 2-((4-AMINOPHENYL)SULPHONYL)-2-[(4-aminophenyl)sulfonyl]ethanolRefChem:449963DTXCID30122946226-047-95246-58-22-((4-Aminophenyl)sulfonyl)ethan-1-ol2-(4-aminophenyl)sulfonylethanol
Database identifiers
- CAS
5246-58-2- PubChem CID
- 78906
- DTXSID
DTXSID30200455- UNII
- XN6MM7B3VE
- EC Number
- 226-047-9
- Nikkaji
- J28.503J
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 88.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Melting point
- 210 · 210-213 °C (decomp)
- Boiling point
- 469.2 · 469.2±45.0 °C(Predicted)
- Density
- 1.364 · 1.364±0.06 g/cm3(Predicted)
- pka
- 13.83 · 13.83±0.10(Predicted)
- FDA UNII
- 6 MM7B3VE · XN6MM7B3VE
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335-H303-H333
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P312-P304+P340-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335-H303-H333
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P312-P304+P340-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers26 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
武汉问津化学科技有限公司13517196568 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
Hebei Zhuanglai Chemical Trading Co.,Ltd13343047651 · [email protected]
上海昶衍化工科技有限公司021-20242659 18930833303 · [email protected]
北京阳光福润科技有限公司010-57495520 13521095525 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
上海景容化学科技有限公司021-60546673 13701861782 · [email protected]
迪派格（渭南）生物科技有限公司15114901355 · [email protected]
Alfa Chemistry
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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