5-Bromo-2-chloro-4-fluorobenzoic acid
Basic information
- CAS
1204219-98-6- Standard SMILES
O=C(O)c1cc(Br)c(F)cc1Cl- InChIKey
DTJGLOLRNBDUFB-UHFFFAOYSA-N- Molecular formula
- C7H3BrClFO2
- Average molar mass
- 253.45 g/mol
- Monoisotopic mass
- 251.8989
Names & identifiers
- Preferred name
- 5-Bromo-2-chloro-4-fluorobenzoic acid
- IUPAC
- 5-bromo-2-chloro-4-fluorobenzoic acid
- English name
- 5-Bromo-2-chloro-4-fluoro-benzoic acid
- Molecular formula
- C7H3BrClFO2
- Molecular weight
- 253.45
Names & synonyms
5-bromo-2-chloro-4-fluorobenzoic acid1204219-98-6RefChem:533125834-815-55-Bromo-2-chloro-4-fluoro-benzoic acidMFCD24107203SCHEMBL1552250SCHEMBL30577298DTJGLOLRNBDUFB-UHFFFAOYSA-NEYB219985-bromo-2-chloro-4-fluorobenzoicacidAKOS020007842
Show more names
CS-W004398DA-37854SY204321Benzoic acid, 5-bromo-2-chloro-4-fluoro-EN300-223517W17792F790736Z1450923101
Database identifiers
- CAS
1204219-98-6- PubChem CID
- 53330455
- EC Number
- 834-815-5
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 190
Physicochemical properties
- storage temp.
- Store at Room Tem.
- form
- powder
- color
- Off-white to faint yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2916399090 · 2916399090
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 3 reports by companies from 3 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
- 2916399090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
1 records
Compound notes
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