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3-(4-Bromophenyl)-5-methylisoxazole-4-carboxaldehyde

3-(4-Bromophenyl)-5-methylisoxazole-4-carboxaldehyde - CAS 1119449-35-2

Name: 3-(4-Bromophenyl)-5-methylisoxazole-4-carboxaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB002828
Product Name:	3-(4-Bromophenyl)-5-methylisoxazole-4-carboxaldehyde
CAS:	1119449-35-2
Synonyms:	3-(4-bromophenyl)-5-methyl-1,2-oxazole-4-carbaldehyde

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	3-(4-bromophenyl)-5-methyl-1,2-oxazole-4-carbaldehyde
Description:	3-(4-Bromophenyl)-5-methylisoxazole-4-carboxaldehyde (CAS# 1119449-35-2) is a useful research chemical.
Molecular Weight:	266.09
Molecular Formula:	C11H8BrNO2
Canonical SMILES:	CC1=C(C(=NO1)C2=CC=C(C=C2)Br)C=O
InChI:	InChI=1S/C11H8BrNO2/c1-7-10(6-14)11(13-15-7)8-2-4-9(12)5-3-8/h2-6H,1H3
InChI Key:	YQMIITZUGLDSDU-UHFFFAOYSA-N
MDL:	MFCD11656166
LogP:	3.22500

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	229
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	264.97384
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	264.97384
Rotatable Bond Count:	2
Topological Polar Surface Area:	43.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6