ethyl 1H-pyrazole-4-carboxylate

HCID 142179CAS 37622-90-5
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)c1cn[nH]c1
InChIKey
KACZQOKEFKFNDB-UHFFFAOYSA-N
Molecular formula
C6H8N2O2
Average molar mass
140.14 g/mol
Monoisotopic mass
140.0585775

Names & identifiers

Preferred name
ethyl 1H-pyrazole-4-carboxylate
IUPAC
ethyl 1H-pyrazole-4-carboxylate
English name
Ethyl pyrazole-4-carboxylate
Molecular formula
C6H8N2O2
Molecular weight
140.14

Names & synonyms

Ethyl 1H-pyrazole-4-carboxylateRefChem:593387609-452-9Ethyl 4-pyrazolecarboxylate37622-90-5Ethyl pyrazole-4-carboxylate1H-Pyrazole-4-carboxylic acid, ethyl ester1H-Pyrazole-4-carboxylic acid ethyl esterMFCD000108444-ethoxycarbonylpyrazole4-Pyrazolecarboxylic Acid Ethyl Esterethyl 1~{H}-pyrazole-4-carboxylate
Show more names
ecarboxyL4-PyrazoLRegadenoson Impurity 7Regadenoson impurity C4- pyrazoleethyl forMate
4-ethoxycarbonyl-1H-pyrazoleSCHEMBL369224ethyl-1h-pyrazole-4-carboxylateSTR08196AKOS005174209PB259081H-pyrazol-4-carboxylic acid ethyl esterBP-12629

Database identifiers

CAS
37622-90-5
PubChem CID
142179
DTXSID
DTXSID40191062
ChEMBL
CHEMBL4461273
EC Number
609-452-9
Nikkaji
J267.289H

Properties

Computed structural properties

XLogP
0.4
Topological polar surface area
55 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
10

Physicochemical properties

Melting point
78 · 78-80 °C (lit.)
Boiling point
138 · 138-140 °C/3 mmHg (lit.)
Density
1.285 · 1.2850 (rough estimate)
refractive index
1.501 · 1.5010 (estimate)
Flash point
138 · 138-140°C/3mm
storage temp.
Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 51 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
hs_code
29331990
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications

UsesUsed for the synthesis of isoxazole-4-carboxylic acid derivatives and isoxazole-3,5-dicarboxamides as herbicides.

UsesEthyl pyrazole-4-carboxylate is used for the synthesis of isoxazole-4-carboxylic acid derivatives and isoxazole-3,5-dicarboxamides.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
常熟市海天医药原料有限公司13913622609

Related reactions

369 records
New reaction record

Linked notes

Loading…