2-(Methylsulfonyl)benzaldehyde - CAS 5395-89-1

Catalog:	BB028415
Product Name:	2-(Methylsulfonyl)benzaldehyde
CAS:	5395-89-1
Synonyms:	2-methylsulfonylbenzaldehyde; 2-methylsulfonylbenzaldehyde

Technical Data

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Computed Properties

IUPAC Name:	2-methylsulfonylbenzaldehyde
Description:	2-(Methylsulfonyl)benzaldehyde (CAS# 5395-89-1) is a useful research chemical.
Molecular Weight:	184.21
Molecular Formula:	C8H8O3S
Canonical SMILES:	CS(=O)(=O)C1=CC=CC=C1C=O
InChI:	InChI=1S/C8H8O3S/c1-12(10,11)8-5-3-2-4-7(8)6-9/h2-6H,1H3
InChI Key:	HFOCAQPWSXBFFN-UHFFFAOYSA-N
Boiling Point:	385.7 °C at 760 mmHg
Density:	1.289 g/cm³
LogP:	1.98340

Publication Number	Title	Priority Date
CN-113322289-A	Process for preparing (2R,3S) -2-amino-3-hydroxy-3- (4- (methylsulfonyl) phenyl) propionic acid	20210804
CN-113322289-B	Process for preparing (2R,3S) -2-amino-3-hydroxy-3- (4- (methylsulfonyl) phenyl) propionic acid	20210804
CN-113248413-A	Method for continuously preparing thiamphenicol by using micro-reaction system	20210405
CN-113149874-A	Preparation method of p-methylsulfonyl benzaldehyde	20201218
CN-213873545-U	Rotary dryer is used in production of methyl sulfone benzaldehyde	20201217

PMID	Publication Date	Title	Journal
21986257	20120401	Role of iodine in the toxicity of diiodomethyl-p-tolylsulfone (DIMPTS) in rats: ADME	Regulatory toxicology and pharmacology : RTP
22051157	20120401	Role of iodine in diiodomethyl-p-tolylsulfone induced reproductive toxicity in rats: proposed mode of action	Regulatory toxicology and pharmacology : RTP
22166729	20120401	Diiodomethyl-p-tolylsulfone: evaluation of the mode of action for reproductive toxicity	Regulatory toxicology and pharmacology : RTP
22178771	20120401	Assessment of the developmental and reproductive toxicity of diiodomethyl-p-tolylsulfone in rats and rabbits	Regulatory toxicology and pharmacology : RTP
22210449	20120401	Subchronic toxicity and genotoxicity of diiodomethyl-p-tolylsulfone (DIMPTS) in laboratory animals	Regulatory toxicology and pharmacology : RTP

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	250
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	184.01941529
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	184.01941529
Rotatable Bond Count:	2
Topological Polar Surface Area:	59.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6