Basic information
- CAS
3024471-16-4- Standard SMILES
O=C(O)c1c(Br)cc(Cl)c(Cl)c1F- InChIKey
RTFCGWONTXZFKC-UHFFFAOYSA-N- Molecular formula
- C7H2BrCl2FO2
- Average molar mass
- 287.89 g/mol
- Monoisotopic mass
- 285.85993
Names & identifiers
- Preferred name
- 6-Bromo-3,4-dichloro-2-fluorobenzoic acid
- IUPAC
- 6-bromo-3,4-dichloro-2-fluorobenzoic acid
- English name
- 6-bromo-3,4-dichloro-2-fluorobenzoic acid
- Molecular formula
- C7H2BrCl2FO2
- Molecular weight
- 287.9
Names & synonyms
3024471-16-46-BROMO-3,4-DICHLORO-2-FLUOROBENZOIC ACIDRefChem:540820986-038-7Benzoic acid, 6-bromo-3,4-dichloro-2-fluoro-SCHEMBL30677799AT42016
Database identifiers
- CAS
3024471-16-4- PubChem CID
- 170632905
- EC Number
- 986-038-7
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 217
Physicochemical properties
- Boiling point
- 336.1 · 336.1±42.0 °C(predicted)
- Density
- 1.968 · 1.968±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)
- pka
- 1.32 · 1.32±0.10(predicted)
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%)
Chemistry & industry
Suppliers3 total
上海宣月科技有限公司15216675652 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
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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