Basic information
- CAS
4544-71-2- Standard SMILES
Oc1c(Br)cc(-c2ccc(Br)cc2)cc1Br- InChIKey
CHRLNCWLRQNNGV-UHFFFAOYSA-N- Molecular formula
- C12H7Br3O
- Average molar mass
- 406.89 g/mol
- Monoisotopic mass
- 403.8047
Names & identifiers
- Preferred name
- 3,4',5-Tribromobiphenyl-4-ol
- IUPAC
- 2,6-dibromo-4-(4-bromophenyl)phenol
- English name
- 3,4',5-Tribromo-[1,1'-biphenyl]-4-ol
- Molecular formula
- C12H7Br3O
- Molecular weight
- 406.9
Names & synonyms
4544-71-23,4',5-tribromobiphenyl-4-ol3,4',5-Tribromo-[1,1'-biphenyl]-4-olNSC 95696NSC95696SCHEMBL7334496DTXSID00294280MFCD34765488NSC-95696AKOS0252953453,4',5-Tribromo[1,1'-biphenyl]-4-olH66727
Show more names
[1,1'-Biphenyl]-4-ol, 3,4',5-tribromo-
Database identifiers
- CAS
4544-71-2- PubChem CID
- 262249
- DTXSID
DTXSID00294280
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 216
Physicochemical properties
- Boiling point
- 361.9 · 361.9±37.0 °C(Predicted)
- Density
- 2.017 · 2.017±0.06 g/cm3(Predicted)
- pka
- 6.68 · 6.68±0.25(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
Suppliers4 total
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
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
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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