2-Bromo-3-chlorobenzoic acid
Basic information
- CAS
56961-26-3- Standard SMILES
O=C(O)c1cccc(Cl)c1Br- InChIKey
SITHNMNGOHVILG-UHFFFAOYSA-N- Molecular formula
- C7H4BrClO2
- Average molar mass
- 235.46 g/mol
- Monoisotopic mass
- 233.90832
Names & identifiers
- Preferred name
- 2-Bromo-3-chlorobenzoic acid
- IUPAC
- 2-bromo-3-chlorobenzoic acid
- English name
- 2-Bromo-3-chlorobenzoicacid
- Molecular formula
- C7H4BrClO2
- Molecular weight
- 235.46
Names & synonyms
2-bromo-3-chlorobenzoic acid56961-26-3DTXSID20275016RefChem:257041DTXCID00226465806-645-125638-14-62-Bromo-3-chlorobenzoicacidBenzoic acid, 2-bromo-3-chloro-MFCD006729312-bromo-3-chloro-benzoic Acid2-Brom-3-chlorobenzoic acid
Show more names
SCHEMBL2303377SITHNMNGOHVILG-UHFFFAOYSA-NCL8022SBB098461AKOS015834878CS-W005157DS-12728SY024816
Database identifiers
- CAS
56961-26-3- PubChem CID
- 33123
- DTXSID
DTXSID20275016- EC Number
- 806-645-1
- Nikkaji
- J813.255K
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Melting point
- 143 · 143-146°
- Boiling point
- 330.4 · 330.4±27.0 °C(Predicted)
- Density
- 1.809 · 1.809
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 2.48 · 2.48±0.10(Predicted)
- form
- solid
- color
- Pale yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261
- 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 2 reports by companies from 2 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
- H315-H319-H335
- Precautionary statements
- P261
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
4 records
Compound notes
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