Biphenyl-4-carbonyl chloride - CAS 14002-51-8

Name: Biphenyl-4-carbonyl chloride
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB009021
Product Name:	Biphenyl-4-carbonyl chloride
CAS:	14002-51-8
Synonyms:	4-phenylbenzoyl chloride

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Computed Properties

IUPAC Name:	4-phenylbenzoyl chloride
Description:	Biphenyl-4-carbonyl chloride (CAS# 14002-51-8) is a useful research chemical.
Molecular Weight:	216.66
Molecular Formula:	C13H9ClO
Canonical SMILES:	C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)Cl
InChI:	InChI=1S/C13H9ClO/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
InChI Key:	JPVUWCPKMYXOKW-UHFFFAOYSA-N
Boiling Point:	160 °C / 2 mmHg
Melting Point:	110-114 °C
Purity:	> 98.0 % (GC) (T)
Density:	1.196 g/cm³
Appearance:	White to yellow fine crystalline powder
Storage:	2-8 °C
MDL:	MFCD00000692
LogP:	3.73260

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Related Functional Groups

Carbonyl Compounds

[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[59855-96-8]C6H7NO3S
2-(Methoxymethyl)thiazole-5-carboxylic Acid
[104496-91-5]C7H9N3OS
2-(Pyridin-2-ylthio)acetohydrazide
[69616-74-6]C18H18O6
2',4-Dihydroxy-3',4',6'-trimethoxychalcone

GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

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PMID	Publication Date	Title	Journal
22590357	20120501	1-(Biphenyl-4-ylcarbon-yl)-3-(2-chloro-4-nitro-phen-yl)thio-urea	Acta crystallographica. Section E, Structure reports online
22199738	20111201	(E)-1-([1,1'-Biphen-yl]-4-yl)-2-(1,3,3-tri-methylindolin-2-yl-idene)ethanone	Acta crystallographica. Section E, Structure reports online
22655237	20110101	Effects of a fluorescent Myosin light chain phosphatase inhibitor on prostate cancer cells	Frontiers in oncology

Complexity:	213
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	216.0341926
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	216.0341926
Rotatable Bond Count:	2
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.5