Basic information
- CAS
81153-63-1- Standard SMILES
CCOC(=O)c1cc(C)nn1-c1ccccc1- InChIKey
XAKCPDKGPSNLDD-UHFFFAOYSA-N- Molecular formula
- C13H14N2O2
- Average molar mass
- 230.26 g/mol
- Monoisotopic mass
- 230.10552769
Names & identifiers
- Preferred name
- Ethyl 3-methyl-1-phenylpyrazole-5-carboxylate
- IUPAC
- ethyl 5-methyl-2-phenylpyrazole-3-carboxylate
- English name
- Ethyl 3-methyl-1-phenylpyrazole-5-carboxylate
- Molecular formula
- C13H14N2O2
- Molecular weight
- 230.26
Names & synonyms
81153-63-1Ethyl 3-methyl-1-phenylpyrazole-5-carboxylateDTXSID90372622RefChem:343465DTXCID90323654ethyl 3-methyl-1-phenyl-1H-pyrazole-5-carboxylateethyl 5-methyl-2-phenylpyrazole-3-carboxylateMFCD00221432Maybridge3_007551SCHEMBL6422295XAKCPDKGPSNLDD-UHFFFAOYSA-NHMS1452K04
Show more names
Ethyl 3-methyl-1-phenylpyrazol-5-carboxylate3-methyl-1-phenylpyrazole-5-ethyl carboxylate5-Methyl-2-phenyl-2H-pyrazole-3-carboxylic acid ethyl ester1H-Pyrazole-5-carboxylicacid, 3-methyl-1-phenyl-, ethyl ester5-(Ethoxycarbonyl)-3-methyl-1-phenyl-1H-pyrazole, [5-(Ethoxycarbonyl)-3-methyl-1H-pyrazol-1-yl]benzene
SBB097605AKOS015842567IDI1_018938BS-24306DB-307990CS-0197439E78266ethyl 5-methyl-2-phenyl-pyrazole-3-carboxylate
Database identifiers
- CAS
81153-63-1- PubChem CID
- 2746772
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 264
Physicochemical properties
- Melting point
- 39 · 39-40 °C
- Boiling point
- 106 · 106-108 °C(Press: 0.1 Torr)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- pka
- -1.79 · -1.79±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2933199090 · 2933199090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933199090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers26 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Aladdin Scientific[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
长沙麓兴生物科技有限公司0731-88827538 15574813303 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
重庆科脉材料科技有限公司17830741407 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
上海健超生物科技有限公司15021035486 18081542813 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
Related reactions
5 records
Compound notes
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