[1,1'-Biphenyl]-4-carboxylic acid, 4'-nitro-
Basic information
- CAS
92-89-7- Standard SMILES
O=C(O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1- InChIKey
LYINHPAEAYJDIR-UHFFFAOYSA-N- Molecular formula
- C13H9NO4
- Average molar mass
- 243.21 g/mol
- Monoisotopic mass
- 243.05315777
Names & identifiers
- Preferred name
- [1,1'-Biphenyl]-4-carboxylic acid, 4'-nitro-
- IUPAC
- 4-(4-nitrophenyl)benzoic acid
- English name
- 4'-nitro[1,1'-biphenyl]-4-carboxylic acid
- Molecular formula
- C13H9NO4
- Molecular weight
- 243.21
Names & synonyms
92-89-74'-Nitro[1,1'-biphenyl]-4-carboxylic acid[1,1'-Biphenyl]-4-carboxylic acid, 4'-nitro-4-Nitro-4'-biphenylcarboxylic acid4'-Nitrodiphenyl-4-carboxylic acid4-Biphenylcarboxylic acid, 4'-nitro-EINECS 202-201-0(1,1'-Biphenyl)-4-carboxylic acid, 4'-nitro-NSC 2107964'-Nitro(1,1'-biphenyl)-4-carboxylic acidDTXSID6059073RefChem:204016
Show more names
4-(4-Nitrophenyl)benzic acid4-(4-Nitrophenyl)benzoic acid, 95%4’-Nitrobiphenyl-4-carboxylic Acid4'-Nitro-(1,1'-biphenyl)-4-carboxylate1,1'-BIPHENYL]-4-NITRO-4'-CARBOXYLIC ACID4′-Nitro[1,1′-biphenyl]-4-carboxylic acid, CAS 92-89-7
DTXCID80487814-Biphenylcarboxylic acid, 4'-nitro-(8CI)202-201-04-(4-nitrophenyl)benzoic acid4'-Nitro-[1,1'-biphenyl]-4-carboxylic acid4'-Nitrobiphenyl-4-carboxylic acidMFCD000439114'-Nitro-biphenyl-4-carboxylic acid
Database identifiers
- CAS
92-89-7- PubChem CID
- 66723
- DTXSID
DTXSID6059073- ChEMBL
CHEMBL109066- UNII
- LM5ZA4XV5M
- EC Number
- 202-201-0
- Nikkaji
- J39.594C
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 309
Physicochemical properties
- Melting point
- 350 ° · 350°
- Boiling point
- 450.2 · 450.2±28.0 °C(Predicted)
- Density
- 1.358 · 1.358±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 3.94 · 3.94±0.10(Predicted)
- Appearance
- Off-white to light yellow Powder
- FDA UNII
- 5 ZA4XV5M · LM5ZA4XV5M
- EPA Substance Registry System
- 1 · [1,1'-Biphenyl]-4-carboxylic acid, 4'-nitro- (92-89-7)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
- TSCA
- TSCA listed
- HazardClass
- IRRITANT
- HS Code
- 2918290090 · 2918290090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- hs_code
- 2918290090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information[1,1'-Biphenyl]-4-carboxylic acid, 4'-nitro-: INACTIVE
Applications
Uses4''-Nitro[1,1''-biphenyl]-4-carboxylic Acid is an intermediate used in the synthesis of substituted biphenyl carboxylic acids, biphenylylacetic acids and aminobiphenyls.
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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