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Product No: AK3659

[1,1'-Biphenyl]-4,4'-dicarboxylic acid, min. 98%

Name: [1,1'-Biphenyl]-4,4'-dicarboxylic acid
Brand: Chempure

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CAS Number

787-70-2

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About this item

IUPAC name	4-(4-carboxyphenyl)benzoic acid
canonical smiles	C1=CC(=CC=C1C2=CC=C(C=C2)C(=O)O)C(=O)O
inchi	InChI=1S/C14H10O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8H,(H,15,16)(H,17,18)
inchi key	NEQFBGHQPUXOFH-UHFFFAOYSA-N
molecular formula	C14H10O4
synonyms	787-70-2 Biphenyl-4,4'-dicarboxylic acid [1,1'-Biphenyl]-4,4'-dicarboxylic acid 4,4'-BIPHENYLDICARBOXYLIC ACID 4-(4-carboxyphenyl)benzoic acid

Computed Properties

Molecular Weight:	242.23 g/mol
XLogP3:	3.4
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	3
Exact Mass:	242.05790880 g/mol
Monoisotopic Mass:	242.05790880 g/mol
Topological Polar Surface Area:	74.6 Å²
Heavy Atom Count:	18
Formal Charge:	0
Complexity:	278
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Terephthalic acid

4-Methylbenzoic acid

4-tert-Butylbenzoic acid

4-Isopropylbenzoic acid

3,4-Dimethylbenzoic acid

4-Ethylbenzoic acid

4,4'-Dinitrobiphenyl

4-Biphenylcarboxylic acid

Dimethyl [1,1'-biphenyl]-4,4'-dicarboxylate

2-Naphthoic acid

2,6-Naphthalenedicarboxylic acid

1,4-Phenylenediacrylic acid

2-Benzoylbenzoic acid

4,4'-Biphenyldisulfonic acid

2,7-Dinitrofluorene

hazard signal	Warning
hazard classes and categories	Not Classified Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	Not Classified Reported as not meeting GHS hazard criteria by 1501 of 1525 companies (only ~ 1.6% companies provided GHS information). For more detailed information, please visit ECHA C&L website. H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
hazards summary	Intraperitoneal LD50 (mouse) = 500 mg/kg. A severe skin and eye irritant. See Biphenyl.

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Documentation

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	4-(4-carboxyphenyl)benzoic acid
canonical smiles	C1=CC(=CC=C1C2=CC=C(C=C2)C(=O)O)C(=O)O
inchi	InChI=1S/C14H10O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8H,(H,15,16)(H,17,18)
inchi key	NEQFBGHQPUXOFH-UHFFFAOYSA-N
molecular formula	C14H10O4
synonyms	787-70-2 Biphenyl-4,4'-dicarboxylic acid [1,1'-Biphenyl]-4,4'-dicarboxylic acid 4,4'-BIPHENYLDICARBOXYLIC ACID 4-(4-carboxyphenyl)benzoic acid

Computed Properties

Molecular Weight:	242.23 g/mol
XLogP3:	3.4
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	3
Exact Mass:	242.05790880 g/mol
Monoisotopic Mass:	242.05790880 g/mol
Topological Polar Surface Area:	74.6 Å²
Heavy Atom Count:	18
Formal Charge:	0
Complexity:	278
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Terephthalic acid

4-Methylbenzoic acid

4-tert-Butylbenzoic acid

4-Isopropylbenzoic acid

3,4-Dimethylbenzoic acid

4-Ethylbenzoic acid

4,4'-Dinitrobiphenyl

4-Biphenylcarboxylic acid

Dimethyl [1,1'-biphenyl]-4,4'-dicarboxylate

2-Naphthoic acid

2,6-Naphthalenedicarboxylic acid

1,4-Phenylenediacrylic acid

2-Benzoylbenzoic acid

4,4'-Biphenyldisulfonic acid

2,7-Dinitrofluorene

hazard signal	Warning
hazard classes and categories	Not Classified Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	Not Classified Reported as not meeting GHS hazard criteria by 1501 of 1525 companies (only ~ 1.6% companies provided GHS information). For more detailed information, please visit ECHA C&L website. H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
hazards summary	Intraperitoneal LD50 (mouse) = 500 mg/kg. A severe skin and eye irritant. See Biphenyl.

Product No: AK3659

[1,1'-Biphenyl]-4,4'-dicarboxylic acid, min. 98%

Product No: AK3659

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: AK3659

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?