4-Bromo-2-(methylsulfonyl)benzaldehyde - CAS 849035-77-4

Name: 4-Bromo-2-(methylsulfonyl)benzaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB037358
Product Name:	4-Bromo-2-(methylsulfonyl)benzaldehyde
CAS:	849035-77-4
Synonyms:	4-bromo-2-methylsulfonylbenzaldehyde; 4-bromo-2-methylsulfonylbenzaldehyde

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-bromo-2-methylsulfonylbenzaldehyde
Description:	4-Bromo-2-(methylsulfonyl)benzaldehyde (CAS# 849035-77-4) is a useful research chemical for organic synthesis and other chemical processes.
Molecular Weight:	263.11
Molecular Formula:	C8H7BrO3S
Canonical SMILES:	CS(=O)(=O)C1=C(C=CC(=C1)Br)C=O
InChI:	InChI=1S/C8H7BrO3S/c1-13(11,12)8-4-7(9)3-2-6(8)5-10/h2-5H,1H3
InChI Key:	KMXMXSSAUZKLCE-UHFFFAOYSA-N
MDL:	MFCD04037947
LogP:	2.74590

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]C6H2Cl2O4
Chloranilic acid
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[253429-30-0]C12H16BrFO3
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[2168559-63-3]C8H10ClNO2
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2019210190-A2	Nile red derivatives for improved ratiometric imaging for nerve-specific contrast	20180426
US-2021115000-A1	Nile red derivatives for improved ratiometric imaging for nerve specific contrast	20180426
WO-2019152440-A1	Methods and compounds for treating disorders	20180130
EP-3746135-A1	Methods and compounds for treating disorders	20180130
CN-112236172-A	Methods and compounds for treating disorders	20180130

Complexity:	280
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	261.92993
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	261.92993
Rotatable Bond Count:	2
Topological Polar Surface Area:	59.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3