2-p-Sulfanilylanilinoethanol
Basic information
- CAS
80-02-4- Standard SMILES
Nc1ccc(S(=O)(=O)c2ccc(NCCO)cc2)cc1- InChIKey
LLBKEUTWJFQRJU-UHFFFAOYSA-N- Molecular formula
- C14H16N2O3S
- Average molar mass
- 292.36 g/mol
- Monoisotopic mass
- 292.08816355
Names & identifiers
- Preferred name
- 2-p-Sulfanilylanilinoethanol
- IUPAC
- 2-[4-(4-aminophenyl)sulfonylanilino]ethanol
- English name
- 2-[[4-[(4-Aminophenyl)sulfonyl]phenyl]amino]ethanol
- Molecular formula
- C14H16N2O3S
- Molecular weight
- 292.35
Names & synonyms
2-(4-Sulfanilylanilino)ethanolSmith's sulfone2-p-SulfanilylanilinoethanolBRN 3059614UNII-2G7D83186S2-((4-((4-Aminophenyl)sulfonyl)phenyl)amino)ethanolNSC-12982NSC-304524-Amino-4'-beta-hydroxyethylamino diphenylsulfone2G7D83186S2-[[4-[(4-Aminophenyl)sulfonyl]phenyl]amino]ethanolDTXSID40229990
Show more names
Ethanol, 2-[[4-[(4-aminophenyl)sulfonyl]phenyl]amino]-
4-13-00-01326 (Beilstein Handbook Reference)2-P-SULFANILYLANILINOETHANOL [MI]2-(P-(P-AMINOPHENYLSULFONYL)PHENYL)AMINO)ETHANOL4-Aminophenyl-4'-[.beta.-hydroxyethylaminophenyl]sulfoneRefChem:88956DTXCID901524814-Aminophenyl-4'-(beta-hydroxyethylaminophenyl)sulfone622-300-6
Database identifiers
- CAS
80-02-4- PubChem CID
- 6622
- DTXSID
DTXSID40229990- ChEMBL
CHEMBL4636768- UNII
- 2G7D83186S
- EC Number
- 622-300-6
- Nikkaji
- J4.245E
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 378
Physicochemical properties
- Melting point
- 131 °C · 131 °C
- Boiling point
- 574.1 · 574.1±40.0 °C(Predicted)
- Density
- 1.369 · 1.369±0.06 g/cm3(Predicted)
- pka
- 14.61 · 14.61±0.10(Predicted)
- FDA UNII
- 2 G7D83186S · 2G7D83186S
- Symbol(GHS)
- 8 · GHS08,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H334
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P261-P285-P304+P341-P342+P311-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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P233, P260, P264, P270, P271, P284, P301+P317, P304+P340, P330, P342+P316, P403, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS07
- Hazard statements
- H302-H334
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P261-P285-P304+P341-P342+P311-P501
Suppliers
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Related reactions
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Compound notes
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