Basic information
- CAS
63105-54-4- Standard SMILES
COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1Cl- InChIKey
IIOLRSLJSWKIEX-UHFFFAOYSA-N- Molecular formula
- C8H5Cl2NO4
- Average molar mass
- 250.03 g/mol
- Monoisotopic mass
- 248.959563
Names & identifiers
- Preferred name
- Methyl 2,3-dichloro-5-nitrobenzoate
- IUPAC
- methyl 2,3-dichloro-5-nitrobenzoate
- English name
- methyl 2,3-dichloro-5-nitrobenzoate
- Molecular formula
- C8H5Cl2NO4
- Molecular weight
- 250.04
Names & synonyms
Methyl 2,3-dichloro-5-nitrobenzoateBenzoic acid, 2,3-dichloro-5-nitro-, methyl ester5H3N9F1AITEINECS 263-859-2UNII-5H3N9F1AITDTXSID5069671RefChem:157207DTXCID9043649263-859-263105-54-4methyl2,3-dichloro-5-nitrobenzoateSCHEMBL22082614
Show more names
2,3-Dichloro-5-nitrobenzoic acid methyl ester
IIOLRSLJSWKIEX-UHFFFAOYSA-NNCA10554methyl 2,3-dichloro-5-nitro-benzoateDB-308214CS-0237422NS00035299D96204EN300-183315
Database identifiers
- CAS
63105-54-4- PubChem CID
- 113010
- DTXSID
DTXSID5069671- UNII
- 5H3N9F1AIT
- EC Number
- 263-859-2
- Nikkaji
- J307.195B
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
Experimental & physicochemical properties
Physical DescriptionCBI
Physicochemical properties
- FDA UNII
- 5 H3N9F1AIT · 5H3N9F1AIT
- EPA Substance Registry System
- 2 · Benzoic acid, 2,3-dichloro-5-nitro-, methyl ester (63105-54-4)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- 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.
Hazard information
Regulatory Information
Benzoic acid, 2,3-dichloro-5-nitro-, methyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzoic acid, 2,3-dichloro-5-nitro-, methyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 50,000 - <250,000 lb
Consumer UsesFragrance
General Manufacturing InformationBenzoic acid, 2,3-dichloro-5-nitro-, methyl ester: INACTIVE
Suppliers2 total
北京依特能化学科技有限责任公司010-59484199 18611897322;18611897322 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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