Basic information
- CAS
385378-70-1- Standard SMILES
O=S(=O)(NCCCl)c1ccc(Br)cc1- InChIKey
IQQUVNLTSMUXLK-UHFFFAOYSA-N- Molecular formula
- C8H9BrClNO2S
- Average molar mass
- 298.59 g/mol
- Monoisotopic mass
- 296.92259
Names & identifiers
- Preferred name
- 4-bromo-N-(2-chloroethyl)benzenesulfonamide
- IUPAC
- 4-bromo-N-(2-chloroethyl)benzenesulfonamide
- English name
- 4-bromo-N-(2-chloroethyl)benzenesulfonamide
- Molecular formula
- C8H9BrClNO2S
- Molecular weight
- 298.58
Names & synonyms
4-bromo-N-(2-chloroethyl)benzenesulfonamide385378-70-1DTXSID90303638RefChem:291047DTXCID70254770MFCD006660934-bromo-N-(2-chloroethyl)benzene-1-sulfonamidebenzenesulfonamide, 4-bromo-N-(2-chloroethyl)-NSC159483ALBB-023094STK164593AKOS003287218
Show more names
ZINC01610578
NSC-159483LS-07205ST065373CS-0210302[(4-bromophenyl)sulfonyl](2-chloroethyl)amineH33835
Database identifiers
- CAS
385378-70-1- PubChem CID
- 293160
- DTXSID
DTXSID90303638
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 257
Physicochemical properties
- Boiling point
- 386.9 · 386.9±52.0 °C(Predicted)
- Density
- 1.621 · 1.621±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 9.82 · 9.82±0.50(Predicted)
Chemistry & industry
Suppliers9 total
Aladdin Scientific[email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
上海尊理加生命科技有限公司021-34045219 13062664914 · [email protected]
上海祺弘医药科技有限公司13482681346 18117455885 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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