2-(Phenylsulfonyl)benzaldehyde - CAS 126076-76-4

Catalog:	BB006381
Product Name:	2-(Phenylsulfonyl)benzaldehyde
CAS:	126076-76-4
Synonyms:	2-(benzenesulfonyl)benzaldehyde; 2-(benzenesulfonyl)benzaldehyde

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-(benzenesulfonyl)benzaldehyde
Description:	2-(Phenylsulfonyl)benzaldehyde (CAS# 126076-76-4 ) is a useful research chemical.
Molecular Weight:	246.28
Molecular Formula:	C13H10O3S
Canonical SMILES:	C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2C=O
InChI:	InChI=1S/C13H10O3S/c14-10-11-6-4-5-9-13(11)17(15,16)12-7-2-1-3-8-12/h1-10H
InChI Key:	CWKMIEALBOKDCD-UHFFFAOYSA-N
Boiling Point:	448 °C at 760 mmHg
Density:	1.299 g/cm³
MDL:	MFCD01025569
LogP:	3.41270

Publication Number	Title	Priority Date
US-2020352921-A1	Aryl-sulfonamide and aryl-sulfone derivatives as trpml modulators	20170507
CN-106083665-A	A kind of use the aryl sulfonyl benzaldehyde hydrozone method to cyclopropane compound open loop	20160627
CN-106083665-B	A method of using aryl sulfonyl benzaldehyde hydrozone to cyclopropane compound open loop	20160627
CN-105777781-A	Thiazole[4,5-e]thiophene[2,3-b]pyridine type derivative with fluorescent function and preparation method thereof	20160111
CN-105777781-B	Thiazole [4,5 e] thiophene [2,3 b] pyridine derivatives with fluorescent functional and preparation method thereof	20160111

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Related Functional Groups

Carbonyl Compounds

[17746-05-3]
Undecanoyl chloride
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide
[151585-93-2]
2-Amino-6-fluorobenzaldehyde
[606-18-8]
2-Amino-3-nitrobenzoic Acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501
Signal Word:	Warning

Complexity:	349
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	246.03506535
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	246.03506535
Rotatable Bond Count:	3
Topological Polar Surface Area:	59.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2