ethyl 4-amino-1H-pyrazole-3-carboxylate

HCID 4912934

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Basic information

CAS: 55904-61-5
Standard SMILES: CCOC(=O)c1[nH]ncc1N
InChIKey: JLIFAQGFWIYWDA-UHFFFAOYSA-N
Molecular formula: C6H9N3O2
Average molar mass: 155.15 g/mol
Monoisotopic mass: 155.06947654

Names & identifiers

Preferred name: ethyl 4-amino-1H-pyrazole-3-carboxylate
IUPAC: ethyl 4-amino-1H-pyrazole-5-carboxylate
English name: 4-Amino-2 H-pyrazole-3-carboxylic acid ethyl ester
Molecular formula: C6H9N3O2
Molecular weight: 155.15

Names & synonyms

55904-61-5Ethyl 4-amino-1H-pyrazole-3-carboxylateDTXSID40971321RefChem:138749DTXCID301398837827-301-7JLIFAQGFWIYWDA-UHFFFAOYSA-Nethyl 4-amino-1H-pyrazole-5-carboxylate1119477-69-84-AMINO-1H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTERMFCD06739331ethyl 4-aminopyrazole-3-carboxylate

Show more names

ALINDA 103183VITAS-BB TBB000700ART-CHEM-BB B0285414-Amino-1H-pyrazole-5-c4-AMINO-2 H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTE4-Amino-1H-pyrazole-5-carboxylic acid ethyl ester

4-AMINO-2 H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER4-Amino-2H-pyrazole-3-carboxylic acid ethyl esterSCHEMBL953967SCHEMBL15491849ALBB-003754BBL008552SBB013514STK288934

Database identifiers

CAS: 55904-61-5
PubChem CID: 4912934
DTXSID: DTXSID40971321
EC Number: 827-301-7

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 81 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 151

Physicochemical properties

Boiling point: 349.2 · 349.2±22.0 °C(Predicted)
Density: 1.318 · 1.318±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, protect from light
pka: 14.74 · 14.74±0.50(Predicted)
Appearance: Pale purple to purple Solid
Symbol(GHS): 8 · GHS08
Signal word: Warning
Hazard statements: 320 · H320-H373
Precautionary statements: 501 · P501-P260-P264-P314-P337+P313-P305+P351+P338
Hazard Codes: Xi
HazardClass: IRRITANT

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 · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS08
hazard_code: Xi
hazard_class: IRRITANT
Hazard statements: H320-H373
Precautionary statements: P501-P260-P264-P314-P337+P313-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Upstream raw materials

NSC360636

Suppliers49 total

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

杭州品高化工有限公司0571-87658025 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

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Compound notes

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