2,4-dinitro-N-(4-nitrophenyl)aniline

Modify Date: 2025-09-27 12:33:04

2,4-dinitro-N-(4-nitrophenyl)aniline Structure
2,4-dinitro-N-(4-nitrophenyl)aniline structure
Common Name 2,4-dinitro-N-(4-nitrophenyl)aniline
CAS Number 970-76-3 Molecular Weight 304.21500
Density 1.592g/cm3 Boiling Point 491.1ºC at 760mmHg
Molecular Formula C12H8N4O6 Melting Point N/A
MSDS N/A Flash Point 250.8ºC

 Names

Name 2,4-dinitro-N-(4-nitrophenyl)aniline
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.592g/cm3
Boiling Point 491.1ºC at 760mmHg
Molecular Formula C12H8N4O6
Molecular Weight 304.21500
Flash Point 250.8ºC
Exact Mass 304.04400
PSA 149.49000
LogP 4.79740
Index of Refraction 1.717
InChIKey MQZAHSOZWFOSGD-UHFFFAOYSA-N
SMILES O=[N+]([O-])c1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1

 Safety Information

HS Code 2921420090

 Synthetic Route

 Customs

HS Code 2921420090
Summary HS:2921420090 aniline derivatives and their salts VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 2,4-dinitro-N-(4-nitrophenyl)anilineBioassay

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Name: Prodrug activation assessed as Ssap-NtrB-mediated metabolite formation measured after...
Source: ChEMBL
Target: Putative nitroreductase
External Id: CHEMBL4380255
Name: Substrate activity at Staphylococcus saprophyticus nitroreductase expressed in Escher...
Source: ChEMBL
Target: Putative nitroreductase
External Id: CHEMBL4380225
Name: Cytotoxicity against human PC3 cells expressing Staphylococcus saprophyticus nitrored...
Source: ChEMBL
Target: PC-3
External Id: CHEMBL4380257
Name: Cytotoxicity against human Hep3B cells assessed as cell viability at 9 to 150 uM afte...
Source: ChEMBL
Target: Hep 3B2
External Id: CHEMBL4380259
Name: Cytotoxicity against human Hep3B cells assessed as cell viability at 9 to 150 uM afte...
Source: ChEMBL
Target: Hep 3B2
External Id: CHEMBL4380260
Name: Cytotoxicity against human PC3 cells assessed as cell viability at 9 to 150 uM after ...
Source: ChEMBL
Target: PC-3
External Id: CHEMBL4380261
Name: Cytotoxicity against human PC3 cells assessed as cell viability at 9 to 150 uM after ...
Source: ChEMBL
Target: PC-3
External Id: CHEMBL4380262
Name: Cytotoxicity against human HUVEC cells assessed as cell viability at 9 to 150 uM afte...
Source: ChEMBL
Target: HUVEC
External Id: CHEMBL4380263
Name: Cytotoxicity against human HUVEC cells assessed as cell viability at 9 to 150 uM afte...
Source: ChEMBL
Target: HUVEC
External Id: CHEMBL4380264
Name: Substrate activity at Staphylococcus saprophyticus nitroreductase expressed in Escher...
Source: ChEMBL
Target: Putative nitroreductase
External Id: CHEMBL4380265
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 Synonyms

2,4,4'-Trinitro-diphenylamin
N-(4-nitrophenyl)-2,4-dinitroaniline
(2,4-dinitro-phenyl)-(4-nitro-phenyl)-amine
N1-(4-nitrophenyl)-2,4-dinitroaniline
(2,4-Dinitro-phenyl)-(4-nitro-phenyl)-amin
EINECS 213-536-7
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