Basic information
- CAS
89193-16-8- Standard SMILES
CCOC(=O)c1cnn(-c2ccccc2)c1C- InChIKey
XYIOIOHRWLZCDM-UHFFFAOYSA-N- Molecular formula
- C13H14N2O2
- Average molar mass
- 230.26 g/mol
- Monoisotopic mass
- 230.10552769
Names & identifiers
- Preferred name
- Ethyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate
- IUPAC
- ethyl 5-methyl-1-phenylpyrazole-4-carboxylate
- English name
- Ethyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate
- Molecular formula
- C13H14N2O2
- Molecular weight
- 230.26
Names & synonyms
89193-16-8Ethyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylateEINECS 289-479-7DTXSID70237568NSC 85879RefChem:138826DTXCID20160059289-479-7ethyl 5-methyl-1-phenylpyrazole-4-carboxylateMFCD000207411H-Pyrazole-4-carboxylic acid, 5-methyl-1-phenyl-, ethyl esterethyl 5-methyl-1-phenyl-pyrazole-4-carboxylate
Show more names
BUTTPARK 91\18-03RARECHEM AL BI 1317SALOR-INT L317519-1EAEthyl 5-methyl-1-phenyl-1H-pyrazol-4-carboxylateEthyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate ,95%5-Methyl-1-phenylpyrazole-4-carboxylic acid ethyl ester5-methyl-1-phenyl-4-pyrazolecarboxylic acid ethyl ester1-Phenyl-5-Methyl Pyrazole-4-Carboxylic Acid Ethyl Ester
5-Methyl-1-phenyl-1H-pyrazole-4-carboxylic acidethyl esterNSC85879Maybridge1_001715NCIOpen2_005069F2135-0873OSM-S-23SCHEMBL1065124HMS546F21
Database identifiers
Properties
Computed structural properties
- XLogP
- 2.5
- 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
- 47 · 47-49°C
- Density
- 1.13 · 1.13
- storage temp.
- 2 · Sealed in dry,2-8°C
- solubility
- Dichloromethane, Methanol
- form
- Solid
- color
- Light Yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39-24/25
- HazardClass
- IRRITANT
- HS Code
- 29331990 · 29331990
Safety & regulation
GHS classification
GHS Classification
Warning
H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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
- hs_code
- 29331990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39-24/25
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesEthyl 5-Methyl-1-phenyl-1H-pyrazole-4-carboxylate (cas# 89193-16-8) is a compound useful in organic synthesis.
Upstream & downstream products
Upstream raw materials
Suppliers43 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
长沙麓兴生物科技有限公司0731-88827538 15574813303 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [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]
Related reactions
2 records
Compound notes
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