5-Isopropylisoxazole-4-carboxylic acid - 97%, high purity , CAS No.134541-05-2

Item Number

I468699

Grouped product items
SKU	Size	Availability	Price	Qty
I468699-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$117.90	+-
I468699-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$309.90	+-
I468699-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,041.90	+-

Basic Description

Synonyms	AS-82168 \| 5-propan-2-yl-1,2-oxazole-4-carboxylic acid \| J-006556 \| MFCD06798130 \| Z406694028 \| F8885-0148 \| FT-0737193 \| ICXLYLUGOXIJDS-UHFFFAOYSA-N \| E85892 \| EN300-366070 \| SY121073 \| AKOS009423789 \| DTXSID10564027 \| 5-ISOPROPYL-ISOXAZOLE-4-CARBOXYLIC
Specifications & Purity	≥97%

Names and Identifiers

IUPAC Name	5-propan-2-yl-1,2-oxazole-4-carboxylic acid
INCHI	InChI=1S/C7H9NO3/c1-4(2)6-5(7(9)10)3-8-11-6/h3-4H,1-2H3,(H,9,10)
InChi Key	ICXLYLUGOXIJDS-UHFFFAOYSA-N
Canonical SMILES	CC(C)C1=C(C=NO1)C(=O)O
Isomeric SMILES	CC(C)C1=C(C=NO1)C(=O)O
WGK Germany	3
PubChem CID	14787249
Molecular Weight	155.15

Chemical and Physical Properties

Melt Point(°C)	78 - 82 °C - lit
Molecular Weight	155.150 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	155.058 Da
Monoisotopic Mass	155.058 Da
Topological Polar Surface Area	63.300 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	158.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Safety and Hazards(GHS)

Pictogram(s)	GHS07
Signal	Warning
Hazard Statements	H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation H302:Harmful if swallowed
Precautionary Statements	P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P271:Use only outdoors or in a well-ventilated area. P270:Do not eat, drink or smoke when using this product. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P362+P364:Take off contaminated clothing and wash it before reuse. P330:Rinse mouth. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P301+P317:IF SWALLOWED: Get medical help. P337+P317:If eye irritation persists: Get medical help. P332+P317:If skin irritation occurs: Get medical help. P319:Get medical help if you feel unwell.
WGK Germany	3
RIDADR	NONHforallmodesoftransport

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Basic Description