ChemicalBook--->CAS DataBase List--->17153-20-7

17153-20-7

17153-20-7 Structure

17153-20-7 Structure
IdentificationMore
[Name]

3-Methyl-4-isoxazolecarboxylic acid
[CAS]

17153-20-7
[Synonyms]

3-METHYL-4-ISOXAZOLECARBOXYLIC ACID
3-METHYLISOXAZOLE-4-CARBOXYLIC ACID
AKOS PAO-1630
3-METHYLISOXAZOLE-4-CARBOXYLIC ACID, 98+%
[EINECS(EC#)]

681-430-1
[Molecular Formula]

C5H5NO3
[MDL Number]

MFCD01318161
[Molecular Weight]

127.1
[MOL File]

17153-20-7.mol
Chemical PropertiesBack Directory
[Appearance]

white to light yellow crystal powder
[Melting point ]

185-187°C
[Boiling point ]

303.6±22.0 °C(Predicted)
[density ]

1.348±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

DMSO (Slightly)
[form ]

Solid
[pka]

2.90±0.25(Predicted)
[color ]

Brown
[BRN ]

114157
[InChI]

InChI=1S/C5H5NO3/c1-3-4(5(7)8)2-9-6-3/h2H,1H3,(H,7,8)
[InChIKey]

YBLSBWHFPXDRHC-UHFFFAOYSA-N
[SMILES]

O1C=C(C(O)=O)C(C)=N1
[CAS DataBase Reference]

17153-20-7(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S22:Do not breathe dust .
[Hazard Note ]

Irritant
[HS Code ]

2934999090
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium hydroxide-->Petroleum ether-->Triethylamine-->Benzene-->Pyrrolidine-->Phenyl isocyanate-->Nitroethane-->Ethyl propiolate-->4-Chloromethyl-3-methyl-isoxazole-->Ethyl 3-methylisoxazole-4-carboxylate-->(3-Methyl-isoxazol-4-yl)-methanol
[Preparation Products]

tert-butyl 3-methylisoxazol-4-ylcarbamate
Hazard InformationBack Directory
[Chemical Properties]

white to light yellow crystal powder
[Uses]

An impurity in Leflunomide (L322750).
Spectrum DetailBack Directory
[Spectrum Detail]

3-Methyl-4-isoxazolecarboxylic acid(17153-20-7)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

3-Methylisoxazole-4-carboxylic acid, 98+%(17153-20-7)
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