Basic information
- CAS
20731-63-9- Standard SMILES
NC(=O)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1- InChIKey
XIYABENEBOSULF-UHFFFAOYSA-N- Molecular formula
- C7H4ClN3O5
- Average molar mass
- 245.58 g/mol
- Monoisotopic mass
- 244.9839479
Names & identifiers
- Preferred name
- 4-Chloro-3,5-dinitrobenzamide
- IUPAC
- 4-chloro-3,5-dinitrobenzamide
- English name
- 4-Chloro-3,5-dinitrobenzamide
- Molecular formula
- C7H4ClN3O5
- Molecular weight
- 245.58
Names & synonyms
4-Chloro-3,5-dinitrobenzamide20731-63-9EINECS 243-998-5DTXSID70174803NSC 76582RefChem:98411DTXCID5097294243-998-54-chloro-3,5-dinitro-benzamideNSC-765823,5-DINITRO-4-CHLOROBENZAMIDENSC76582
Show more names
3.5-Dinitro-4-chlor-benzamid
Benzamide, 4-chloro-3,5-dinitro-WP9P28GYV2SCHEMBL6570802MFCD00017135STK395738AKOS005434470FC70960CS-0360355
Database identifiers
- CAS
20731-63-9- PubChem CID
- 88673
- DTXSID
DTXSID70174803- UNII
- WP9P28GYV2
- EC Number
- 243-998-5
- Nikkaji
- J225.320H
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 301
Physicochemical properties
- Melting point
- 186 °C · 186 °C
- Boiling point
- 319.1 · 319.1±42.0 °C(Predicted)
- Density
- 1.708 · 1.708±0.06 g/cm3(Predicted)
- solubility
- soluble in Dichloromethane; Diethyl Ether; Ethanol; Ethyl Acetate; Methanol
- pka
- 13.44 · 13.44±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Applications
Uses4-Chloro-3,5-dinitrobenzamide-15N2 is an intermediate in synthesizing Lodoxamide-15N2,d2 (L469367), a labelled form of Lodoxamide. It is an antiallergic drug that acts as a mast cell stabilizer. It is effective in the treatment of allergic conjunctivitis and in decreasing vascular permeability.
Upstream & downstream products
Downstream products
Suppliers13 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
武汉开诺医药科技有限公司18040571231/1402788087
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
上海传芊化工科技中心15869524721 · [email protected]
上海芯源广新材料有限公司021-22062033 15921412618 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 18012923235 · [email protected]
Coresyn Pharmatech Co., Ltd.+86-571-86626709 +86-18157142896 · [email protected]
Related reactions
2 records
Compound notes
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