2-Chlorooxazole-4-carboxylic Acid - CAS 706789-07-3

Name: 2-Chlorooxazole-4-carboxylic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB034207
Product Name:	2-Chlorooxazole-4-carboxylic Acid
CAS:	706789-07-3
Synonyms:	2-chloro-4-oxazolecarboxylic acid; 2-chloro-1,3-oxazole-4-carboxylic acid

Technical Data

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Patents

Computed Properties

IUPAC Name:	2-chloro-1,3-oxazole-4-carboxylic acid
Description:	2-Chlorooxazole-4-carboxylic Acid (CAS# 706789-07-3) is an versatile oxazole cross-coupling unit used for the synthesis of 4-Bromomethyl-2-chlorooxazole.
Molecular Weight:	147.52
Molecular Formula:	C4H2ClNO3
Canonical SMILES:	C1=C(N=C(O1)Cl)C(=O)O
InChI:	InChI=1S/C4H2ClNO3/c5-4-6-2(1-9-4)3(7)8/h1H,(H,7,8)
InChI Key:	AFZJELJKFJSQGN-UHFFFAOYSA-N
Boiling Point:	345.804 °C at 760 mmHg
Density:	1.64 g/cm³
LogP:	1.02620

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Related Functional Groups

Carbonyl Compounds

[87-88-7]C6H2Cl2O4
Chloranilic acid
[17746-05-3]C11H21ClO
Undecanoyl chloride
[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

GHS Hazard Statement:	H302 (100%): 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
CA-3041587-A1	Oxazole derivatives for use as irak inhibitors and method for their preparation	20161026
EP-3532470-A1	Oxazole derivatives for use as irak inhibitors and method for their preparation	20161026
JP-2019537577-A	Oxazole derivatives for use as IRAK inhibitors and methods for their preparation	20161026
US-10370367-B2	IRAK inhibitors and method for making and using	20161026
US-2018111923-A1	Irak inhibitors and method for making and using	20161026

Complexity:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	146.9723206
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	146.9723206
Rotatable Bond Count:	1
Topological Polar Surface Area:	63.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2