1-Ethyl-1H-pyrazole-5-carboxylic acid

HCID 565702CAS 400755-43-3

Substructure search Find similar structures

Basic information

Standard SMILES: CCn1nccc1C(=O)O
InChIKey: FSMHDKRQCDWWGZ-UHFFFAOYSA-N
Molecular formula: C6H8N2O2
Average molar mass: 140.14 g/mol
Monoisotopic mass: 140.0585775

Names & identifiers

Preferred name: 1-Ethyl-1H-pyrazole-5-carboxylic acid
IUPAC: 2-ethylpyrazole-3-carboxylic acid
English name: 1H-Pyrazole-5-carboxylicacid,1-ethyl-(9CI)
Molecular formula: C6H8N2O2
Molecular weight: 140.14

Names & synonyms

1-Ethyl-1H-pyrazole-5-carboxylic acid400755-43-3DTXSID60340570RefChem:75717DTXCID80291651673-166-01-ethylpyrazole-5-carboxylic acid2-ethylpyrazole-3-carboxylic acidMFCD020908332-Ethyl-2H-pyrazole-3-carboxylic acidSCHEMBL262196SCHEMBL23674924

Show more names

1-Ethyl-1H-pyrazol-5-carboxylic acid1H-Pyrazole-5-carboxylic acid, 1-ethyl-1H-Pyrazole-5-carboxylicacid,1-ethyl-(9CI)1-ethyl-1H-pyrazole-5-carboxylic acid(SALTDATA: FREE)

HMS1701G21ALBB-003737BBL001449SBB000009STK3158891-ethyl-1H-pyrazole-5-carboxylicacidAKOS000264805Pyrazole-5-carboxylic acid, 1-ethyl-

Database identifiers

CAS: 400755-43-3
PubChem CID: 565702
DTXSID: DTXSID60340570
EC Number: 673-166-0

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 138

Physicochemical properties

Boiling point: 307.4 · 307.4±15.0 °C(Predicted)
Density: 1.27 · 1.27±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 3.2 · 3.20±0.10(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HazardClass: IRRITANT
HS Code: 2933199090 · 2933199090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.