Basic information
- CAS
619-16-9- Standard SMILES
O=[N+]([O-])c1ccc([N+](=O)[O-])c(Cl)c1- InChIKey
OEZJLUBWUDVTSS-UHFFFAOYSA-N- Molecular formula
- C6H3ClN2O4
- Average molar mass
- 202.55 g/mol
- Monoisotopic mass
- 201.9781343
Names & identifiers
- Preferred name
- 2-Chloro-1,4-dinitrobenzene
- IUPAC
- 2-chloro-1,4-dinitrobenzene
- English name
- 2-CHLORO-1,4-DINITROBENZENE
- Molecular formula
- C6H3ClN2O4
- Molecular weight
- 202.55
Names & synonyms
2-Chloro-1,4-dinitrobenzene619-16-9Benzene, 2-chloro-1,4-dinitro-1,4-Dinitro-2-chlorobenzeneUNII-6TGA767QWV6TGA767QWV2,5-dinitrochlorobenzeneNSC 154554NSC-154554DTXSID80210923NSC-15455RefChem:86113
Show more names
DTXCID10133414OEZJLUBWUDVTSS-UHFFFAOYSA-N1-Chloro-2,5-dinitrobenzeneNSC1545542-chloro-1,4-dinitro-benzeneMFCD00474537SCHEMBL28592452-Chloro-1,4-dinitrobenzene #
Database identifiers
- CAS
619-16-9- PubChem CID
- 98620
- DTXSID
DTXSID80210923- UNII
- 6TGA767QWV
- Nikkaji
- J95.415B
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 224
Physicochemical properties
- Melting point
- 64 °C · 64 °C
- Boiling point
- 320.1 · 320.1±22.0 °C(Predicted)
- Density
- 1.619 · 1.619±0.06 g/cm3(Predicted)
- FDA UNII
- 6 TGA767QWV · 6TGA767QWV
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xn
- RIDADR
- Cool, dry,tightly closed
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
- ridadr
- Cool, dry,tightly closed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesUses are the same as other isomers such as 4-chloro-1,2- dinitrobenzene.
Uses2-Chloro-1,4-dinitrobenzene is a reagent used in the synthesis of novel thiazole derivatives which are potential coxsackie inhibitors.
Upstream & downstream products
Downstream products
Suppliers10 total
陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
上海辅欣医药科技有限公司021-50872116 13391048226 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]
西安华诺生物科技有限公司12345678900 · [email protected]
上海普黎康化工科技有限公司021-54321516 17717324060 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
DAYANG CHEM (HANGZHOU) CO.,LTD
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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