Basic information
- CAS
329939-43-7- Standard SMILES
COc1ccc(CNS(=O)(=O)c2ccc(Br)cc2)cc1- InChIKey
HKTIXZGUJGCYDO-UHFFFAOYSA-N- Molecular formula
- C14H14BrNO3S
- Average molar mass
- 356.24 g/mol
- Monoisotopic mass
- 354.98778
Names & identifiers
- Preferred name
- 4-bromo-N-(4-methoxybenzyl)benzenesulfonamide
- IUPAC
- 4-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
- English name
- 4-Bromo-N-(4-methoxybenzyl)benzenesulfonamide
- Molecular formula
- C14H14BrNO3S
- Molecular weight
- 356.23
Names & synonyms
329939-43-74-bromo-N-(4-methoxybenzyl)benzenesulfonamide4-bromo-N-[(4-methoxyphenyl)methyl]benzenesulfonamideN-(4-Methoxybenzyl) 4-bromobenzenesulfonamide4-Bromo-N-(4-methoxybenzyl)benzenesulphonamideMFCD013596194-Bromo-N-[(4-methoxyphenyl)methyl]benzene-1-sulfonamideCBMicro_027143SCHEMBL3914871DTXSID20359704STK033126AKOS000383622
Show more names
4-Bromo-N-(4-methoxybenzyl)benzenesulfonamide USP/EP/BPBenzenesulfonamide, 4-bromo-N-[(4-methoxyphenyl)methyl]-
BS-28056ST010732BIM-0027073.P001DB-412451CS-0206529F71930AN-652/12072713F213629
Database identifiers
- CAS
329939-43-7- PubChem CID
- 986643
- DTXSID
DTXSID20359704- EC Number
- 169-479-2
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 380
Physicochemical properties
- Boiling point
- 481.4 · 481.4±55.0 °C(Predicted)
- Density
- 1.478 · 1.478±0.06 g/cm3(Predicted)
- pka
- 10.54 · 10.54±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- 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.
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- hs_code
- 2935909099
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers18 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [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]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
安徽凯泽合联医药科技有限公司18130062233 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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