Basic information
- CAS
20328-15-8- Standard SMILES
CCOC(=O)c1conc1C- InChIKey
AEWHICNMVQOWJE-UHFFFAOYSA-N- Molecular formula
- C7H9NO3
- Average molar mass
- 155.15 g/mol
- Monoisotopic mass
- 155.05824315
Names & identifiers
- Preferred name
- Ethyl 3-methyl-1,2-oxazole-4-carboxylate
- IUPAC
- ethyl 3-methyl-1,2-oxazole-4-carboxylate
- English name
- Ethyl 3-methylisoxazole-4-carboxylate
- Molecular formula
- C7H9NO3
- Molecular weight
- 155.15
Names & synonyms
ethyl 3-methyl-1,2-oxazole-4-carboxylateDTXSID10312161RefChem:595009DTXCID10263285991-905-820328-15-8ethyl 3-methylisoxazole-4-carboxylateETHYL 3-METHYL-ISOXAZOLE-4-CARBOXYLATE4-Isoxazolecarboxylic acid, 3-methyl-, ethyl esterMFCD010757363-METHYLISOXAZOLE-4-CARBOXYLIC ACID ETHYL ESTERETHYL3-METHYLISOXAZOLE-4-CARBOXYLATE
Show more names
Leflunomide Impurity 93-methyl-4-isoxazolecarboxylic acid ethyl ester4-Isoxazolecarboxylicacid,3-methyl-,ethylester(8CI,9CI)Ethyl 3-methylisoxazole-4-carboxylateQ: What is Ethyl 3-methylisoxazole-4-carboxylate Q: What is the CAS Number of Ethyl 3-methylisoxazole-4-carboxylate Q: What is the storage condition of Ethyl 3-methylisoxazole-4-carboxylate Q: What are the applications of Ethyl 3-methylisoxazole-4-carboxylate
NSC-250960NSC2509607VJ8CD6HCHSCHEMBL1639502SCHEMBL5410864AEWHICNMVQOWJE-UHFFFAOYSA-Nethyl 3-methyl-4-isoxazolecarboxylateAKOS005207241
Database identifiers
- CAS
20328-15-8- PubChem CID
- 317668
- DTXSID
DTXSID10312161- UNII
- 7VJ8CD6HCH
- EC Number
- 991-905-8
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Boiling point
- 64 °C · 64°C 0,6mm
- Density
- 1.139 · 1.139±0.06 g/cm3(Predicted)
- refractive index
- 1.459 · 1.4590
- Flash point
- 64 °C/0.6mm · 64°C/0.6mm
- storage temp.
- 2 · 2-8°C
- pka
- -3.24 · -3.24±0.50(Predicted)
- Appearance
- Light yellow to yellow Liquid
- BRN
- 1072756 · 1072756
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 233 · P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
- Safety Statements
- 24 · 24/25
- HS Code
- 2934999090 · 2934999090
Safety & regulation
GHS classification
GHS Classification
Warning
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]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Chemistry & industry
Applications
Uses3-Methylisoxazole-4-carboxylic Acid Ethyl Ester is an impurity in Leflunomide (L322750); an immunosuppressive that inhibits T and B cell proliferation.
Upstream & downstream products
Downstream products
Suppliers35 total
济南百隆化学有限公司[email protected] · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
上海卡洛化学有限公司
Related reactions
3 records
Compound notes
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