Basic information
- CAS
321976-44-7- Standard SMILES
C=CS(=O)(=O)c1cccc(Br)c1- InChIKey
OLIANFUVVGMTDW-UHFFFAOYSA-N- Molecular formula
- C8H7BrO2S
- Average molar mass
- 247.11 g/mol
- Monoisotopic mass
- 245.93501
Names & identifiers
- Preferred name
- 1-Bromo-3-(ethenesulfonyl)benzene
- IUPAC
- 1-bromo-3-ethenylsulfonylbenzene
- English name
- 1-bromo-3-(vinylsulfonyl)benzene
- Molecular formula
- C8H7BrO2S
- Molecular weight
- 247.11
Names & synonyms
1-bromo-3-(ethenesulfonyl)benzene321976-44-7RefChem:430416865-613-51-bromo-3-ethenylsulfonylbenzeneIFLab1_0037001-bromo-3-vinylsulfonyl-benzeneSCHEMBL104790083-bromo-1-(vinylsulfonyl)benzeneHMS1422I04WMA97644AKOS002161565
Show more names
1-bromo-3-(vinylsulfonyl)benzeneBenzene, 1-bromo-3-(ethenylsulfonyl)-
IDI1_009807CS-0221959ST50036114EN300-100824Z277559444
Database identifiers
- CAS
321976-44-7- PubChem CID
- 855002
- EC Number
- 865-613-5
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 253
Physicochemical properties
- Boiling point
- 372.6 · 372.6±34.0 °C(Predicted)
- Density
- 1.554 · 1.554±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H302-H335-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H302-H335-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers5 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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