Basic information
- CAS
132715-69-6- Standard SMILES
O=C(O)c1cccc(F)c1Br- InChIKey
KQRCBMPPEPNNDS-UHFFFAOYSA-N- Molecular formula
- C7H4BrFO2
- Average molar mass
- 219.01 g/mol
- Monoisotopic mass
- 217.93786969
Names & identifiers
- Preferred name
- 2-Bromo-3-fluorobenzoic acid
- IUPAC
- 2-bromo-3-fluorobenzoic acid
- English name
- 2-Bromo-3-fluorobenzoic acid
- Molecular formula
- C7H4BrFO2
- Molecular weight
- 219.01
Names & synonyms
2-Bromo-3-fluorobenzoic acid132715-69-6DTXSID50307157RefChem:257061DTXCID80258284630-221-3Benzoic acid, 2-bromo-3-fluoro-MFCD015693982-bromo-3-fluoro-benzoic acid2-Bromo-3-fluorobenzoicacidNSC190303AKOS005063818
Show more names
EOS-61551BUTTPARK 22\01-972-Bromo-3-fluorobenzoic2-Bromo-3-fluorobenzoic acid 98%2-Bromo-3-fluorobenzoic Acid >2-Bromine-3-Fluoride Benzoic Acids3-Fluoro-2-Bromo Benzoic Acid 2-Bromo-3-Fluorobenzoic Acid
NSC-190303AC-1212DS-0455PS-7894B3722EN300-1068253-fluoro-2-bromo benzoic acidSCHEMBL394187
Database identifiers
- CAS
132715-69-6- PubChem CID
- 302622
- DTXSID
DTXSID50307157- EC Number
- 630-221-3
- Nikkaji
- J2.160.022I
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Melting point
- 158 · 158-160°C
- Boiling point
- 292.7 · 292.7±25.0 °C(Predicted)
- Density
- 1.789 · 1.789±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 2.51 · 2.51±0.10(Predicted)
- color
- White to Light yellow to Light orange
- InChI
- InChI=1S/C7H4BrFO2/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3H,(H,10,11)
- InChIKey
- KQRCBMPPEPNNDS-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=CC=CC(F)=C1Br
- CAS DataBase Reference
- 132715 · 132715-69-6(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 29163990
- risk_code
- 36/37/38-36-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-36/37/39-37
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
Uses2-Bromo-3-fluorobenzoic acid serves as a precursor for synthesizing 2-bromo-3-fluorobenzoic acid methyl ester via treatment with diazomethane, and for preparing 6-iodo-2-bromo-3-fluorobenzoic acid through reaction with iodine, palladium(II) acetate, and diacetoxyiodobenzene.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Related reactions
11 records
Compound notes
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