Biphenyl-4-carboxaldehyde - CAS 3218-36-8

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

Catalog:	BB021215
Product Name:	Biphenyl-4-carboxaldehyde
CAS:	3218-36-8
Synonyms:	4-phenylbenzaldehyde

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Computed Properties

IUPAC Name:	4-phenylbenzaldehyde
Description:	Biphenyl-4-carboxaldehyde (CAS# 3218-36-8) is used in biological studies to evaluate the effects of common chemical substituents on ligand potency.
Molecular Weight:	182.22
Molecular Formula:	C13H10O
Canonical SMILES:	C1=CC=C(C=C1)C2=CC=C(C=C2)C=O
InChI:	InChI=1S/C13H10O/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-10H
InChI Key:	ISDBWOPVZKNQDW-UHFFFAOYSA-N
Boiling Point:	184 °C (11 mmHg)
Density:	1.107 g/cm³
MDL:	MFCD00006947
LogP:	3.16610

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Related Functional Groups

Carbonyl Compounds

[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[253429-30-0]C12H16BrFO3
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[1018125-51-3]C12H12F3N3O2
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[59855-96-8]C6H7NO3S
2-(Methoxymethyl)thiazole-5-carboxylic Acid
[1018168-48-3]C7H9NO4
2-[(5-Methyl-1,2-oxazol-3-yl)methoxy]acetic acid

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GHS Hazard Statement:	H302 (10.42%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021127328-A1	Trpml modulators	20191219
WO-2021127333-A1	Trpml modulators	20191219
WO-2021127337-A1	Trpml modulators	20191219
WO-2021123848-A1	Process for the preparation of a chiral prostaglandin enol intermediate and intermediate compounds useful in the process	20191218
US-2021189080-A1	Composition for forming hard coat, method for producing article having hard coat, hard coat, hard-coated article, and silane-modified alicyclic compound	20191212

PMID	Publication Date	Title	Journal
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
21579093	20100410	1-(Biphenyl-4-ylmethyl-idene)thio-semicarbazide monohydrate	Acta crystallographica. Section E, Structure reports online
21580697	20100320	2-[4-Acetyl-5-(biphenyl-4-yl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]phenyl acetate	Acta crystallographica. Section E, Structure reports online
21580580	20100303	N'-[(Biphenyl-4-yl)methyl-ene]-2-[(3,5-di-tert-butyl-4-hydroxy-benz-yl)sulfan-yl]acetohydrazide	Acta crystallographica. Section E, Structure reports online
21578444	20091028	(E)-3-(Biphenyl-4-yl)-1-(3-bromo-phen-yl)prop-2-en-1-one	Acta crystallographica. Section E, Structure reports online

Complexity:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	182.073164938
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	182.073164938
Rotatable Bond Count:	2
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4