Methyl 4-bromo-5-chloro-2-nitrobenzoate
Basic information
- CAS
1416374-90-7- Standard SMILES
COC(=O)c1cc(Cl)c(Br)cc1[N+](=O)[O-]- InChIKey
VQBVYXVATUOERO-UHFFFAOYSA-N- Molecular formula
- C8H5BrClNO4
- Average molar mass
- 294.48 g/mol
- Monoisotopic mass
- 292.90905
Names & identifiers
- Preferred name
- Methyl 4-bromo-5-chloro-2-nitrobenzoate
- IUPAC
- methyl 4-bromo-5-chloro-2-nitrobenzoate
- English name
- 2-Nitro-4-bromo-5-chlorobenzoic acid methyl ester
- Molecular formula
- C8H5BrClNO4
- Molecular weight
- 294.49
Names & synonyms
Methyl 4-bromo-5-chloro-2-nitrobenzoate1416374-90-72-nitro-4-bromo-5-chlorobenzoic acid methyl esterMFCD21603960Benzoic acid, 4-bromo-5-chloro-2-nitro-, methyl estermethyl 2-nitro-4-bromo-5-chlorobenzoateAKOS022181484Methyl4-bromo-5-chloro-2-nitrobenzoateBS-21451SY035432methyl 4-bromo-5-chloro-2-nitro-benzoateDB-228226
Show more names
S10826F8594144-Bromo-5-chloro-2-nitro-benzoic acid methyl ester
Database identifiers
- CAS
1416374-90-7- PubChem CID
- 56973584
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 270
Physicochemical properties
- Boiling point
- 367.9 · 367.9±37.0 °C(Predicted)
- Density
- 1.76 · 1.760±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
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Related reactions
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Compound notes
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