4-Bromophenylchloromethyl sulfone
Basic information
- CAS
24437-60-3- Standard SMILES
O=S(=O)(CCl)c1ccc(Br)cc1- InChIKey
AHXUVTKVCMOKIX-UHFFFAOYSA-N- Molecular formula
- C7H6BrClO2S
- Average molar mass
- 269.54 g/mol
- Monoisotopic mass
- 267.89604
Overview
used to control phytotoxicity of benthiocarb; structure given in first source
Names & identifiers
- Preferred name
- 4-Bromophenylchloromethyl sulfone
- IUPAC
- 1-bromo-4-(chloromethylsulfonyl)benzene
- English name
- 4-bromophenylchloromethyl sulfone
- Molecular formula
- C7H6BrClO2S
- Molecular weight
- 269.54
Names & synonyms
54091-06-4BPCMS4-Bromophenylchloromethyl sulfoneN849B8NVJSRefChem:9123984-Bromophenyl chloromethyl sulfone1-BROMO-4-((CHLOROMETHYL)SULFONYL)BENZENE1-bromo-4-(chloromethylsulfonyl)benzeneBenzene, 1-bromo-4-[(chloromethyl)sulfonyl]-1-bromo-4-chloromethanesulfonylbenzene1-Bromo-4-(chloromethanesulfonyl)benzene1-Bromo-4-[(chloromethyl)sulfonyl]benzene
Show more names
4-(CHLOROMETHYLSULFONYL)BROMOBENZENE
Benzene, 1-bromo-4-((chloromethyl)sulfonyl)-Sulfone, p-bromophenyl chloromethylChloromethyl(p-bromophenyl) sulfonep-Bromophenyl(chloromethyl) sulfoneUNII-N849B8NVJSUNII-WGD7GS525GSCHEMBL165340DTXSID7043906
Database identifiers
- CAS
24437-60-3、54091-06-4- PubChem CID
- 40989
- DTXSID
DTXSID7043906- UNII
- N849B8NVJS
- EC Number
- 836-596-1
- Nikkaji
- J40.662G
Properties
Computed structural properties
- XLogP
- 1.9
- 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
- 226
Physicochemical properties
- FDA UNII
- 849 B8NVJS · N849B8NVJS
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Suppliers
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Related reactions
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Compound notes
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