Basic information
- CAS
231953-31-4- Standard SMILES
Cc1c(Br)cc(C(F)(F)F)cc1Br- InChIKey
PYNWLQMFGMGAHM-UHFFFAOYSA-N- Molecular formula
- C8H5Br2F3
- Average molar mass
- 317.93 g/mol
- Monoisotopic mass
- 315.87101
Names & identifiers
- Preferred name
- 1,3-Dibromo-2-methyl-5-(trifluoromethyl)benzene
- IUPAC
- 1,3-dibromo-2-methyl-5-(trifluoromethyl)benzene
- English name
- 1,3-DibroMo-2-Methyl-5-(trifluoroMethyl)benzene
- Molecular formula
- C8H5Br2F3
- Molecular weight
- 317.93
Names & synonyms
1,3-dibromo-2-methyl-5-(trifluoromethyl)benzene231953-31-4DTXSID50371616RefChem:218391DTXCID203226502,6-Dibromo-4-(trifluoromethyl)tolueneMFCD01631686Benzene, 1,3-dibromo-2-methyl-5-(trifluoromethyl)-SCHEMBL12535480PYNWLQMFGMGAHM-UHFFFAOYSA-NCS-0449977H68302
Show more names
F772176
Database identifiers
- CAS
231953-31-4- PubChem CID
- 2736802
- DTXSID
DTXSID50371616
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Boiling point
- 223.2 · 223.2±35.0 °C(Predicted)
- Density
- 1.852 · 1.852±0.06 g/cm3(Predicted)
- HS Code
- 2902900000 · 2902900000
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
- 2902900000
Chemistry & industry
Suppliers8 total
安徽合诺生物科技有限公司0555-2761852
安徽合诺生物科技有限公司18455579438
常州宣叶科技有限公司15195022192 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
常州优瑞医药科技有限公司18168818882 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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