Basic information
- CAS
949014-42-0- Standard SMILES
COc1cc(F)c(C(=O)O)cc1Br- InChIKey
DSLNYARFEZMGKA-UHFFFAOYSA-N- Molecular formula
- C8H6BrFO3
- Average molar mass
- 249.03 g/mol
- Monoisotopic mass
- 247.94843437
Names & identifiers
- Preferred name
- 5-Bromo-2-fluoro-4-methoxybenzoic acid
- IUPAC
- 5-bromo-2-fluoro-4-methoxybenzoic acid
- English name
- Benzoic acid, 5-broMo-2-fluoro-4-Methoxy-
- Molecular formula
- C8H6BrFO3
- Molecular weight
- 249.03
Names & synonyms
5-Bromo-2-fluoro-4-methoxybenzoic acid949014-42-0DTXSID40647413RefChem:301653DTXCID50598164847-165-2MFCD204862705-Bromo-2-fluoro-4-methoxy-benzoicacid5-Bromo-2-fluoro-4-methoxy-benzoic acid5-Bromo-2-fluoro-4-methoxybenzoicacidSCHEMBL4409345DSLNYARFEZMGKA-UHFFFAOYSA-N
Show more names
ZMB01442BS-24671DB-080143Benzoic acid, 5-bromo-2-fluoro-4-methoxy-CS-0210860EN300-121586F87592F229675
Database identifiers
- CAS
949014-42-0- PubChem CID
- 24809659
- DTXSID
DTXSID40647413- EC Number
- 847-165-2
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 200
Physicochemical properties
- Boiling point
- 301.2 · 301.2±42.0 °C(Predicted)
- Density
- 1.701 · 1.701±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.15 · 3.15±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
- HS Code
- 2918290090 · 2918290090
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)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2918290090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Chemistry & industry
Suppliers22 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
安徽合诺生物科技有限公司0555-2761852
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
苏州亚衍医药科技有限公司17715136450 · [email protected]
安徽合诺生物科技有限公司18455579438
苏州施亚生物科技有限公司86(512)5235 8471 17715136450 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
苏州斯凯诺森生物科技有限公司19951323309 · [email protected]
西安莱茵生物科技有限公司86-(0)29-85992781 17792393971 · [email protected]
Novachemistry44-20819178-90 02081917890 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
Related reactions
3 records
Compound notes
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