4,4′-Dinitro-1,1′-biphenyl
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4,4′-Dinitro-1,1′-biphenyl
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CAS No:
1528-74-1
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Formula:
C12H8N2O4
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Chemical Name:
4,4′-Dinitro-1,1′-biphenyl
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Synonyms:
1,1′-Biphenyl,4,4′-dinitro-;Biphenyl,4,4′-dinitro-;4,4′-Dinitro-1,1′-biphenyl;4,4′-Dinitrobiphenyl;4,4′-Dinitrodiphenyl;NSC 8738;1-Nitro-4-(4-nitrophenyl)benzene
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CAS No:
4,4′-Dinitro-1,1′-biphenyl Basic Attributes
244.206
244.20
216-210-2
6X8N704C9U
8738
DTXSID4061757
NEEDLES FROM ALCOHOL
2904209090
Characteristics
91.6
3.21
1.3468 (rough estimate)
240-243 °C
387.12°C (rough estimate)
208.8±14.6 °C
1.6360 (estimate)
INSOL IN WATER; SOL IN HOT ALCOHOL, BENZENE & ACETIC ACID
2.74e-08 mmHg
UV: 2-287 (Organic Electronic Spectral Data, Phillips et al, John Wiley & Sons, New York) /Biphenyl, 2,4'-dinitro/|UV: 2-287 (Organic Electronic Spectral Data, Phillips et al, John Wiley & Sons, New York) /Biphenyl, 3,3'-dinitro/|UV: 2-287 (Organic Electronic Spectral Data, Phillips et al, John Wiley & Sons, New York) /Biphenyl, 3,4'dinitro/
Safety Information
R20/21/22
22-36/37/39
DV4000000
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Drug Information
FOLLOWING THE ORAL OR IP ADMIN OF 4,4'-DINITROBIPHENYL TO GUINEA PIGS, 4,4'-DIACETYLBENZIDINE (4,4'-DIACETYLAMINOBIPHENYL) WAS EXCRETED IN THE URINE. THE METABOLISM OF 4,4'-DINITROBIPHENYL IN THE RAT WAS CONSIDERABLY SLOWER THAN IN THE GUINEA PIG. 3-CHLORO-4-AMINO-4'-NITROBIPHENYL & 3-CHLORO-4-ACETAMIDO-4'-NITROBIPHENYL WERE FOUND IN THE URINE OF RATS BUT NOT OF GUINEA PIGS. APPARENTLY, IN THE RAT HALOGENATION OCCURS IN A METABOLIC PATHWAY FOR THE METABOLITES OF 4,4'-DINITROBIPHENYL, 4-AMINO-4'-NITROBIPHENYL & 4-ACETAMIDO-4'-NITROBIPHENYL.
4,4'-dinitrobiphenyl
4,4′-Dinitro-1,1′-biphenyl Use and Manufacturing
steroid hormone precursor
1,1'-Biphenyl, 4,4'-dinitro-: INACTIVE
THE HIGH-PRESSURE LIQUID CHROMATOGRAPHIC ANALYSIS OF A SERIES OF BIPHENYLS SUBSTITUTED AT POSITIONS 2-, 3-, 4-, 4,4'- & 3,4-, KNOWN OR SUSPECTED CARCINOGENS, WAS CARRIED OUT IN THE 3 COMMON MODES: ADSORPTION, NORMAL PARTITION & REVERSED-PHASE PARTITION. UV ABSORPTION MONITORING OF THE EFFLUENT WAS USED AS THE METHOD OF DETECTION.|DETERMINATION OF AROMATIC NITRO COMPD IN AIRBORNE PARTICULATES BY GAS CHROMATOGRAPHY.
BIPHENYL DERIVATIVES COULD BE DETERMINED QUANTITATIVELY BY A COMBINATION OF THIN-LAYER CHROMATOGRAPHY AND PHOTODENSITOMETRY. IN THIS MANNER IT WAS POSSIBLE TO DETECT URINARY METABOLITES OF 4,4'-DINITROBIPHENYL.
Computed Properties
Molecular Weight:244.20
XLogP3:3.6
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:244.04840674
Monoisotopic Mass:244.04840674
Topological Polar Surface Area:91.6
Heavy Atom Count:18
Complexity:275
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes