Basic information
- CAS
10250-61-0- Standard SMILES
COC(=O)c1cc(C)n(C)n1- InChIKey
WOBRRDCECRRRGS-UHFFFAOYSA-N- Molecular formula
- C7H10N2O2
- Average molar mass
- 154.17 g/mol
- Monoisotopic mass
- 154.07422756
Names & identifiers
- Preferred name
- methyl 1,5-dimethyl-1H-pyrazole-3-carboxylate
- IUPAC
- methyl 1,5-dimethylpyrazole-3-carboxylate
- English name
- METHYL 1,5-DIMETHYL-1H-PYRAZOLE-3-CARBOXYLATE
- Molecular formula
- C7H10N2O2
- Molecular weight
- 154.17
Names & synonyms
methyl 1,5-dimethyl-1H-pyrazole-3-carboxylate10250-61-0DTXSID80373082RefChem:353235DTXCID20324114682-943-3methyl 1,5-dimethylpyrazole-3-carboxylateMFCD066613121H-Pyrazole-3-carboxylic acid, 1,5-dimethyl-, methyl esterSCHEMBL22465661,5-Dimethyl-1H-pyrazole-3-carboxylic acid methyl esterSBB007598
Show more names
TIMTEC-BB SBB007598Methyl 1,5-dimethyl-1H-pyrazol-3-carboxylate1,5-dimethylpyrazole-3-carboxylic acid methyl ester1,5-dimethyl-3-pyrazolecarboxylic acid methyl ester1H-Pyrazole-3-carboxylicacid, 1,5-dimethyl-, methyl ester
STK351777AKOS003386277ST059439SY050780TS-02055DB-057881CS-0127591M2863
Database identifiers
- CAS
10250-61-0- PubChem CID
- 2755339
- DTXSID
DTXSID80373082- EC Number
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Melting point
- 73 °C · 73 °C
- Boiling point
- 144 °C/11mmHg · 144°C/11mmHg(lit.)
- Density
- 1.1142 g/cm3 · 1.1142 g/cm3(Temp: 18.5 °C)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 0.4 · 0.40±0.10(Predicted)
- color
- White to Almost white
- InChI
- 1S/C7H10N2O2/c1-5-4-6(7(10)11-3)8-9(5)2/h4H,1-3H3
- InChIKey
- WOBRRDCECRRRGS-UHFFFAOYSA-N
- SMILES
- COC(=O)c1cc(C)n(C)n1
- CAS DataBase Reference
- 10250 · 10250-61-0
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.4%)
Safety data
- wgk
- 3
- hs_code
- 2933119000
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- hazard_class
- IRRITANT
- Storage Class
- 13 - Non Combustible Solids
- Hazard statements
- H315-H319
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
UsesMethyl 1,5-Dimethyl-1H-pyrazole-3-carboxylate is used to study proton magnetic resonance of pyrazoles.
Upstream & downstream products
Downstream products
Suppliers43 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [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]
南京哈柏医药科技有限公司13376080562 13376090521 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
Related reactions
2 records
Compound notes
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