Basic information
- CAS
957313-90-5- Standard SMILES
Cn1cc(-c2cc(C(=O)O)no2)cn1- InChIKey
UPYDIDCKWXFZJZ-UHFFFAOYSA-N- Molecular formula
- C8H7N3O3
- Average molar mass
- 193.16 g/mol
Names & identifiers
- Preferred name
- 5-(1-methyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carboxylic acid
- IUPAC
- 5-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylic acid
- English name
- 5-(1-Methyl-1H-pyrazol-4-yl)-isoxazole-3-carboxylic acid
- Molecular formula
- C8H7N3O3
- Molecular weight
- 193.16
Names & synonyms
957313-90-55-(1-methyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carboxylic acidRefChem:529008862-029-25-(1-methyl-1H-pyrazol-4-yl)isoxazole-3-carboxylic acid5-(1-Methyl-1H-pyrazol-4-yl)-isoxazole-3-carboxylic acidMFCD049702775-(1-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylic acid5-(1-methylpyrazol-4-yl)isoxazole-3-carboxylic acidSCHEMBL1816428UPYDIDCKWXFZJZ-UHFFFAOYSA-NHNB31390
Show more names
AKOS B021222AKOS PAO-0138TIMTEC-BB SBB009561ART-CHEM-BB B0212225-(1-Methyl-1H-pyrazol-4-yl)-3-isoxazolecarboxylic acid3-Isoxazolecarboxylic acid, 5-(1-methyl-1H-pyrazol-4-yl)-
SBB009561STK349751AKOS000302936DB-113431CS-0081423ST45123367D74318EN300-229825
Database identifiers
- CAS
957313-90-5
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 81.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 236
Physicochemical properties
- Boiling point
- 494.7 · 494.7±40.0 °C(Predicted)
- Density
- 1.54 · 1.54±0.1 g/cm3(Predicted)
- pka
- 3.25 · 3.25±0.10(Predicted)
- form
- solid
- UNSPSC Code
- 12352106 · 12352106
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H302-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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 (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 CategoriesAcute Tox. 4 (100%)
Safety data
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- hazard_class
- IRRITANT
- Hazard statements
- H319-H315-H302-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers6 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
济宁一泽医药科技有限公司15192473210 · [email protected]
济南光尘医药科技有限公司18563726319 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
3 records
Compound notes
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