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

HCID 97509CAS 20246-81-5

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Basic information

Standard SMILES: O=C(O)c1cc([N+](=O)[O-])ccc1-c1ccc([N+](=O)[O-])cc1C(=O)O
InChIKey: CDYUHLLQUAYYHD-UHFFFAOYSA-N
Molecular formula: C14H8N2O8
Average molar mass: 332.224 g/mol
Monoisotopic mass: 332.02806522

Names & identifiers

Preferred name: (1,1'-Biphenyl)-2,2'-dicarboxylic acid, 4,4'-dinitro-
IUPAC: 4,4'-Dinitro[1,1'-biphenyl]-2,2'-dicarboxylic acid
English name: 4,4'-Dinitrodiphenic acid
Molecular formula: C14H8N2O8
Molecular weight: 332.22

Names & synonyms

4-Dinitrodiphenic acid4,4'-Dinitrodiphenic acid4,4'-Dinitro-2,2'-diphenic acid4,4'-dinitrobiphenyl-2,2'-dicarboxylic acid4,4'-Dinitro-2,2'-biphenyldicarboxylic acid4,4'-Dinitro-1,1'-biphenyl-2,2'-dicarboxylic aci4,4'-Dinitro-1,1'-biphenyl-2,2'-dicarboxylic acid4,4'-Dinitro-[1,1'-biphenyl]-2,2'-dicarboxylic acid[1,1'-Biphenyl]-2,2'-dicarboxylicacid, 4,4'-dinitro-[1,1-Biphenyl]-2,2-dicarboxylicacid, 4,4-dinitro->99%

Database identifiers

CAS: 20246-81-5
PubChem CID: 97509
DTXSID: DTXSID80174091
ChEMBL: CHEMBL1869992
Nikkaji: J754.398K

Properties

Physicochemical properties

Melting point: 258 · 258-259℃
Boiling point: 539.5 · 539.5±50.0 °C(Predicted)
Density: 1.632 · 1.632
storage temp.: Sealed in dry,Room Temperature
pka: 2.61 · 2.61±0.22(Predicted)
Appearance: White to off-white Solid
InChI: InChI=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)
InChIKey: CDYUHLLQUAYYHD-UHFFFAOYSA-N
SMILES: C1(C2=CC=C([N+]([O-])=O)C=C2C(O)=O)=CC=C([N+]([O-])=O)C=C1C(O)=O
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
RIDADR: 1325 · UN1325
HazardClass: 4.1 · 4.1
Limited Quantities: 1 Kg · 1.0 Kg (2.2 lbs)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

Safety data

ridadr: UN1325
Signal word: Warning
Symbol(GHS): GHS07
hazard_class: 4.1
Hazard statements: H302-H315-H319-H335
Limited Quantities: 1.0 Kg (2.2 lbs)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Upstream raw materials

[1,1'-Biphenyl]-2,2'-dicarboxylic acid, (1R)- (9CI)4,4'-Dinitro-2,2'-dicarbonylbiphenyl 2,7-Dinitro-9,10-phenanthrenedione Biphenyl-2,2'-dicarboxaldehyde [1,1'-Biphenyl]-2,2'-dicarboxylicacid, 4,4'-dinitro-, 2,2'-diMethyl ester Methyl 2-iodo-5-nitrobenzoate 2-Bromo-5-nitrobenzoic acid Methyl 2-bromo-5-nitrobenzoate 3-(N,N-Dimethylamino)aniline Sulfuric acid 1-Iodonaphthalene 2-Chloro-5-nitrobenzoic acid

Suppliers44 total

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

郑州汇聚化工有限公司13393710386 · [email protected]

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

Related reactions

5 records

New reaction record

HRID 511713As reactantuspto-grants-2015_08

HRID 523324As reactantuspto-grants-2016_05

HRID 1042621As reactantuspto-grants-2013_10

HRID 1922557As reactantuspto-grants-2012_05

HRID 2193517As reactantuspto-grants-2012_12

Linked notes

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