Methyl 2,5-dichloro-4-nitrobenzoate
Basic information
- CAS
63105-61-3- Standard SMILES
COC(=O)c1cc(Cl)c([N+](=O)[O-])cc1Cl- InChIKey
GTTBQPFPHTXRSZ-UHFFFAOYSA-N- Molecular formula
- C8H5Cl2NO4
- Average molar mass
- 250.03 g/mol
- Monoisotopic mass
- 248.959563
Names & identifiers
- Preferred name
- Methyl 2,5-dichloro-4-nitrobenzoate
- IUPAC
- methyl 2,5-dichloro-4-nitrobenzoate
- English name
- methyl 2,5-dichloro-4-nitrobenzoate
- Molecular formula
- C8H5Cl2NO4
- Molecular weight
- 250.04
Names & synonyms
Methyl 2,5-dichloro-4-nitrobenzoateBenzoic acid, 2,5-dichloro-4-nitro-, methyl esterEINECS 263-861-3DTXSID5069673RefChem:157228DTXCID3043651263-861-363105-61-3DF3NJ2XW84GTTBQPFPHTXRSZ-UHFFFAOYSA-NDB-334436METHYL 25-DICHLORO-4-NITROBENZOATE
Show more names
2,5-Dichloro-4-nitrobenzoic acid methyl ester
NS00035301
Database identifiers
- CAS
63105-61-3- PubChem CID
- 113012
- DTXSID
DTXSID5069673- UNII
- DF3NJ2XW84
- EC Number
- 263-861-3
- Nikkaji
- J307.197I
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
- 268
Physicochemical properties
- FDA UNII
- 3 NJ2XW84 · DF3NJ2XW84
- EPA Substance Registry System
- 2 · Benzoic acid, 2,5-dichloro-4-nitro-, methyl ester (63105-61-3)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 2,5-dichloro-4-nitro-, methyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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