Basic information
- CAS
36749-41-4- Standard SMILES
COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Br- InChIKey
XSJXJYYYTKHXQW-UHFFFAOYSA-N- Molecular formula
- C8H5BrN2O6
- Average molar mass
- 305.04 g/mol
- Monoisotopic mass
- 303.9331
Names & identifiers
- Preferred name
- Methyl 2-bromo-3,5-dinitrobenzoate
- IUPAC
- methyl 2-bromo-3,5-dinitrobenzoate
- English name
- 2-broMo-3,5-dinitro-benzoic acid Methyl ester
- Molecular formula
- C8H5BrN2O6
- Molecular weight
- 305.04
Names & synonyms
methyl 2-bromo-3,5-dinitrobenzoate36749-41-42-Bromo-3,5-dinitro-benzoic acid methyl esterMFCD15466487NSC159525SCHEMBL13987139DTXSID60303645XSJXJYYYTKHXQW-UHFFFAOYSA-Nmethyl2-bromo-3,5-dinitrobenzoateAKOS011218881NSC-159525methyl 2-bromanyl-3,5-dinitro-benzoate
Show more names
Benzoic acid, 2-bromo-3,5-dinitro-, methyl ester
DB-330001CS-0361760
Database identifiers
- CAS
36749-41-4- PubChem CID
- 293192
- DTXSID
DTXSID60303645
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 338
Physicochemical properties
- Melting point
- 106 · 106-108 °C
- Boiling point
- 360.5 · 360.5±37.0 °C(Predicted)
- Density
- 1.824 · 1.824±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H302+H312+H332-H315
- Precautionary statements
- 301 · P301+P312-P302+P352-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.
Safety data
- hs_code
- 2916399090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H302+H312+H332-H315
- Precautionary statements
- P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers3 total
扬州思域化工有限公司0514-87325867 · [email protected]
北京亿思研科技开发中心010-56645598 13366904824 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
Related reactions
3 records
Compound notes
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