1,5-dimethyl-3-ethoxycarbonylpyrazole

HCID 138577CAS 5744-51-4

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Basic information

Standard SMILES: CCOC(=O)c1cc(C)n(C)n1
InChIKey: OJPXVXXMBWKEAT-UHFFFAOYSA-N
Molecular formula: C8H12N2O2
Average molar mass: 168.196 g/mol
Monoisotopic mass: 168.08987762

Names & identifiers

Preferred name: 1,5-dimethyl-3-ethoxycarbonylpyrazole
IUPAC: Ethyl 1,5-dimethyl-1H-pyrazole-3-carboxylate
English name: Ethyl 1,5-dimethyl-1H-pyrazole-3-carboxylate
Molecular formula: C8H12N2O2
Molecular weight: 168.19

Names & synonyms

AKOS B0066841,5-DimethyLAKOS PAO-0796BUTTPARK 90\11-93VITAS-BB TBB000644ART-CHEM-BB B006684Ethyl 1,5-diMethyl-1H-pyr...1,5-dimethyl-3-ethoxycarbonylpyrazoleETHYL 1,5-DIMETHYLPYRAZOLE-3-CARBOXYLATEEthyl1,5-Dimethylpyrazole-3-carboxylate>

Database identifiers

CAS: 5744-51-4
PubChem CID: 138577
DTXSID: DTXSID50206055
EC Number: 660-934-5
Nikkaji: J479.013H

Properties

Physicochemical properties

Melting point: 39 · 39-41°C
Boiling point: 154 °C · 154°C 10mm
Density: 1.12 · 1.12±0.1 g/cm3 (20 ºC 760 Torr)
Flash point: 110.3 · 110.3±21.8℃
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
form: powder to crystal
pka: 0.54 · 0.54±0.10(Predicted)
color: Light orange to Yellow to Green
InChI: InChI=1S/C8H12N2O2/c1-4-12-8(11)7-5-6(2)10(3)9-7/h5H,4H2,1-3H3
InChIKey: OJPXVXXMBWKEAT-UHFFFAOYSA-N
SMILES: N1(C)C(C)=CC(C(OCC)=O)=N1
CAS DataBase Reference: 5744 · 5744-51-4(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-22
Safety Statements: 26 · 26-36/37/39
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29331990 · 29331990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 Oral · Acute Tox. 4 Oral

Safety & regulation

Safety data

wgk: 3
hs_code: 29331990
risk_code: 36/37/38-22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
safety_code: 26-36/37/39
hazard_class: IRRITANT
Storage Class: 11 - 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

UsesEthyl 1,5-dimethyl-1H-pyrazole-3-carboxylate is a biochemical reagent that can be used as a biological material or organic compound for life science related research.

Upstream & downstream products

Upstream raw materials

Downstream products

3-Isothiocyanato-1,5-dimethyl-1H-pyrazole 2-(1,5-Dimethyl-1H-pyrazol-3-yl)acetic acid ,97%1,5-Dimethyl-1H-pyrazole-3-carbonitrile ,97%N,1,5-Trimethyl-1H-pyrazole-3-carboxamide ,97%3-Isocyanato-1,5-dimethyl-1H-pyrazole N-[(1,5-Dimethyl-1H-pyrazol-3-yl)methyl]-N-methylamine 1,5-Dimethyl-1 H-pyrazol-3-ylamine 2-(1,5-Dimethyl-1H-pyrazol-3-yl)acetonitrile ,97%(1,5-Dimethyl-1H-pyrazol-3-yl)methylamine 1,5-Dimethyl-1H-pyrazole-3-carboxamide ,97%3-Bromo-1,5-dimethyl-1H-pyrazole (1,5-Dimethyl-1H-pyrazol-3-yl)methanol

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

杭州鸿喜生物医药科技有限公司18989489206 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Related reactions

6 records

New reaction record

HRID 976983As productuspto-grants-1997_03

HRID 1227095As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1452081As productuspto-grants-1997_02

HRID 1721825As productuspto-grants-1989_08

HRID 1825331As productuspto-grants-2006_05

HRID 1825332As reactantuspto-grants-2006_05

Linked notes

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