Basic information
- CAS
6334-01-6- Standard SMILES
CCS(=O)(=O)c1ccc(N)cc1- InChIKey
CBJKYWQOFCTMLG-UHFFFAOYSA-N- Molecular formula
- C8H11NO2S
- Average molar mass
- 185.25 g/mol
- Monoisotopic mass
- 185.05104977
Names & identifiers
- Preferred name
- 4-(Ethylsulfonyl)benzenamine
- IUPAC
- 4-ethylsulfonylaniline
- English name
- p-(ethylsulfonyl)-anilin
- Molecular formula
- C8H11NO2S
- Molecular weight
- 185.24
Names & synonyms
6334-01-64-(Ethylsulfonyl)benzenamineANILINE, p-(ETHYLSULFONYL)-DTXSID80212725RefChem:1070130DTXCID101352164-(Ethanesulfonyl)aniline4-(Ethylsulfonyl)aniline4-ethylsulfonylanilinep-(ethylsulfonyl)-anilinMFCD01670261Benzenamine, 4-(ethylsulfonyl)-
Show more names
ZINC01663826
[4-(ethylsulfonyl)phenyl]amineNSC313774-13-00-01290 (Beilstein Handbook Reference)NSC 31377BRN 2719642aniline, 4-ethylsulphonyl-4-Ethanesulfonyl-phenylamine4-(ethylsulfonyl)aniline HCl
Database identifiers
- CAS
6334-01-6- PubChem CID
- 22795
- DTXSID
DTXSID80212725- ChEMBL
CHEMBL1625862- Nikkaji
- J2.382.811A
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Melting point
- 89.3 °C · 89.3 °C
- Boiling point
- 388.6 · 388.6±34.0 °C(Predicted)
- Density
- 1.234 · 1.234±0.06 g/cm3(Predicted)
- pka
- 1.39 · 1.39±0.10(Predicted)
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
- HS Code
- 2930909899 · 2930909899
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2930909899
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Chemistry & industry
Suppliers8 total
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
箴德化工科技（上海）有限公司15601952568 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
4 records
Compound notes
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