Basic information
- CAS
651358-41-7- Standard SMILES
O=C(CBr)Cc1ccc(Cl)c(Cl)c1- InChIKey
QDXQRVMHTLDGOE-UHFFFAOYSA-N- Molecular formula
- C9H7BrCl2O
- Average molar mass
- 281.96 g/mol
- Monoisotopic mass
- 279.90573
Names & identifiers
- Preferred name
- 1-Bromo-3-(3,4-dichlorophenyl)propan-2-one
- IUPAC
- 1-bromo-3-(3,4-dichlorophenyl)propan-2-one
- English name
- 1-broMo-3-(3,4-dichlorophenyl)propan-2-one
- Molecular formula
- C9H7BrCl2O
- Molecular weight
- 281.96
Names & synonyms
1-BROMO-3-(3,4-DICHLOROPHENYL)PROPAN-2-ONE651358-41-7MFCD118475581-Bromo-3-(3,4-dichlorophenyl)-2-propanoneC9H7BrCl2OSCHEMBL1351021DTXSID00695157QDXQRVMHTLDGOE-UHFFFAOYSA-NAKOS017561659SY128393CS-03314801-bromo-3-(3,4-dichloro-phenyl)-propan-2-one
Show more names
2-Propanone, 1-bromo-3-(3,4-dichlorophenyl)-
F729559
Database identifiers
- CAS
651358-41-7- PubChem CID
- 53403274
- DTXSID
DTXSID00695157
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Boiling point
- 335.8 · 335.8±32.0 °C(Predicted)
- Density
- 1.63 · 1.630±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers6 total
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
天津安浩生物科技有限公司[email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
天津安浩生物科技有限公司02284840027 18602254930 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
2 records
Compound notes
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