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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 97509Generated: October 23, 2026

(1,1'-Biphenyl)-2,2'-dicarboxylic acid, 4,4'-dinitro-

4-Dinitrodiphenic acid · 4,4'-Dinitrodiphenic acid · 4,4'-Dinitro-2,2'-diphenic acid · 4,4'-dinitrobiphenyl-2,2'-dicarboxylic acid · 4,4'-Dinitro-2,2'-biphenyldicarboxylic acid · 4,4'-Dinitro-1,1'-biphenyl-2,2'-dicarboxylic aci · 4,4'-Dinitro-1,1'-biphenyl-2,2'-dicarboxylic acid · 4,4'-Dinitro-[1,1'-biphenyl]-2,2'-dicarboxylic acid

https://huagongshe.com/en/chemical/97509

(1,1'-Biphenyl)-2,2'-dicarboxylic acid, 4,4'-dinitro- molecular structure

Identifiers & Physical Properties

CAS No.20246-81-5
Molecular formulaC14H8N2O8
Average molar mass332.22 g/mol
Monoisotopic mass332.02806522 g/mol
SMILESO=C(O)c1cc([N+](=O)[O-])ccc1-c1ccc([N+](=O)[O-])cc1C(=O)O
InChIKeyCDYUHLLQUAYYHD-UHFFFAOYSA-N
PubChem CID97509
ChEMBLCHEMBL1869992
DTXSIDDTXSID80174091

Chemical & Physical Properties

XLogP2.3
Topological polar surface area166
Hydrogen bond donors2
Hydrogen bond acceptors8
Rotatable bonds3
Heavy atoms24
Formal charge0
Complexity492
Melting point258-259℃
Boiling point539.5±50.0 °C(Predicted)
Density1.632
Storage conditionsSealed in dry,Room Temperature
pKa (acidity coefficient)2.61±0.22(Predicted)
AppearanceWhite to off-white Solid
InChIInChI=1S/C14H8N2O8/c17-13(18)11-5-7(15(21)22)1-3-9(11)10-4-2-8(16(23)24)6-12(10)14(19)20/h1-6H,(H,17,18)(H,19,20)
InChIKeyCDYUHLLQUAYYHD-UHFFFAOYSA-N
SMILESC1(C2=CC=C([N+]([O-])=O)C=C2C(O)=O)=CC=C([N+]([O-])=O)C=C1C(O)=O
GHS pictogramGHS07
Signal wordWarning
GHS hazard statementsH302-H315-H319-H335
GHS precautionary statementsP261-P305+P351+P338
UN transport numberUN1325
Hazard class4.1
Limited quantities1.0 Kg (2.2 lbs)
Excepted quantitiesMax Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & Regulations

UN transport numberUN1325
Signal wordWarning
GHS pictogramGHS07
Hazard class4.1
GHS hazard statementsH302-H315-H319-H335
Limited quantities1.0 Kg (2.2 lbs)
Excepted quantitiesMax Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
GHS precautionary statementsP261-P305+P351+P338
(1,1'-Biphenyl)-2,2'-dicarboxylic acid, 4,4'-dinitro-｜Huagongshe