Basic information
- CAS
603-02-1- Standard SMILES
Cc1ccc([N+](=O)[O-])c(C)c1[N+](=O)[O-]- InChIKey
XUUSVHGZGPBZLS-UHFFFAOYSA-N- Molecular formula
- C8H8N2O4
- Average molar mass
- 196.16 g/mol
- Monoisotopic mass
- 196.04840674
Names & identifiers
- Preferred name
- 1,3-Dimethyl-2,4-dinitrobenzene
- IUPAC
- 1,3-dimethyl-2,4-dinitrobenzene
- English name
- 2,4-dinitro-m-xylene
- Molecular formula
- C8H8N2O4
- Molecular weight
- 196.16
Names & synonyms
1,3-Dimethyl-2,4-dinitrobenzene603-02-1m-Xylene, 2,4-dinitro-DTXSID10209047RefChem:1052867DTXCID30131538210-029-22,4-Dinitro-m-xyleneBenzene, 1,3-dimethyl-2,4-dinitro-2,6-dinitro-m-xyleneMFCD00051017161-02-4
Show more names
Lidocaine Impurity 56Medetomidine Impurity 642,4-Dinitro-1,3-dimethylbenzene2,4-Dimethyl-1,3-dinitrobenzene
2,4-Dinitro-1,3-dimethyl-benzeneCCRIS 3124EINECS 210-029-2BRN 2333058Benzene, 1,3-dimethyldinitro-2,4-Dinitro-m-xylol3-05-00-00844 (Beilstein Handbook Reference)SCHEMBL2946228
Database identifiers
- CAS
603-02-1- PubChem CID
- 69042
- DTXSID
DTXSID10209047- EC Number
- 210-029-2
- Nikkaji
- J134.618K
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 245
Physicochemical properties
- Melting point
- 82 · 82-84 °C
- Boiling point
- 301.6 · 301.6±37.0 °C(Predicted)
- Density
- 1.346 · 1.346±0.06 g/cm3(Predicted)
- CAS DataBase Reference
- 603 · 603-02-1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers29 total
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
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Related reactions
7 records
Compound notes
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