Basic information
- CAS
7454-76-4- Standard SMILES
O=S(=O)(NC1CCCCC1)c1ccc(Br)cc1- InChIKey
XATZMSCJHBJRTQ-UHFFFAOYSA-N- Molecular formula
- C12H16BrNO2S
- Average molar mass
- 318.23 g/mol
- Monoisotopic mass
- 317.00851185
Names & identifiers
- Preferred name
- 4-bromo-N-cyclohexylbenzenesulfonamide
- IUPAC
- 4-bromo-N-cyclohexylbenzenesulfonamide
- English name
- 4-Bromo-N-cyclohexylbenzenesulphonamide
- Molecular formula
- C12H16BrNO2S
- Molecular weight
- 318.23
Names & synonyms
4-bromo-N-cyclohexylbenzenesulfonamide7454-76-4DTXSID10355013RefChem:291072DTXCID40306073N-CYCLOHEXYL 4-BROMOBENZENESULFONAMIDE4-Bromo-N-cyclohexylbenzenesulphonamide4-Bromo-N-cyclohexyl-benzenesulfonamideMFCD00450584KSC-16-128MLS000104520N-cyclohexyl-4-bromobenzenesulfonamide
Show more names
Benzenesulfonamide, 4-bromo-N-cyclohexyl-4-Bromo-N-cyclohexylbenzenesulphonamide98%4-BroMo-N-cyclohexylbenzenesulfonaMide, 97%4-Bromo-N-cyclohexylbenzenesulphonamide 98%4-BROMO-N-CYCLOHEXYLBENZENESULPHONAMIDE USP/EP/BP
CBMicro_0050844-BROMO-N-CYCLOHEXYLBENZENE-1-SULFONAMIDEOprea1_028673Oprea1_443570JHICC02066SCHEMBL2834532CHEMBL1540418XATZMSCJHBJRTQ-UHFFFAOYSA-N
Database identifiers
- CAS
7454-76-4- PubChem CID
- 789094
- DTXSID
DTXSID10355013- ChEMBL
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 325
Physicochemical properties
- Melting point
- 102 · 102-104
- Boiling point
- 413.7 · 413.7±47.0 °C(Predicted)
- Density
- 1.5 · 1.50±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 11.48 · 11.48±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2935909099 · 2935909099
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
- 2935909099
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers22 total
Aladdin Scientific[email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
武汉泰凯塞科技有限公司027-86697669 13986148687 · [email protected]
武汉凯美克化学科技有限公司027-87342388 18086026008 · [email protected]
Shenzhen Excellent Biotech Co., Ltd.13480692018 · [email protected]
成都瑞欧克科技有限公司028-64353063 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
北京汇科盈生物科技有限公司15210661751 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
湖北创联康成药物化学有限公司027-65388397 18164111589 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
Related reactions
5 records
Compound notes
Loading…