CAS 876343-24-7 1-Ethyl-1h-pyrazol-4-amine (HCID 7018640)

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Basic information

CAS: 876343-24-7
Standard SMILES: CCn1cc(N)cn1
InChIKey: HENLKZLWIDJRSC-UHFFFAOYSA-N
Molecular formula: C5H9N3
Average molar mass: 111.15 g/mol
Monoisotopic mass: 111.0796473

Names & identifiers

Preferred name: 1-Ethyl-1h-pyrazol-4-amine
IUPAC: 1-ethylpyrazol-4-amine
English name: 1-ethyl-1H-pyrazol-4-amine
Molecular formula: C5H9N3
Molecular weight: 111.15

Names & synonyms

1-ethyl-1H-pyrazol-4-amine876343-24-7DTXSID10427002RefChem:230210DTXCID10377836814-391-81-ethyl-1h-pyrazol-4-ylamine4-AMINO-1-ETHYLPYRAZOLE1-ethylpyrazol-4-amine1H-Pyrazol-4-amine, 1-ethyl-MFCD058616671-ethylpyrazole-4-ylamine

Show more names

4-Amino-1-ethyl-1H-pyrazole1-ethyl-1H-pyrazol-4-amine hydrochloride1-ethyl-1H-pyrazol-4-amine(SALTDATA: HCl)

1-ethyl-4-amino-1H-pyrazole1ethyl1hpyrazol4amine hydrocloridePB34103BP-211781-Ethyl-1H-pyrazol-4-amine;1-ethyl-1H-pyrazol-4-amineethyl-1H-pyrazol-4-amine1-ETHYL-1H-PYRAZOL-4-AMINE HYDROCLORIDEA848281

Database identifiers

CAS: 876343-24-7
PubChem CID: 7018640
DTXSID: DTXSID10427002
ChEMBL: CHEMBL4527358
EC Number: 814-391-8

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 43.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 74

Physicochemical properties

Boiling point: 238.6 · 238.6±13.0 °C(Predicted)
Density: 1.16 · 1.16±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 3.72 · 3.72±0.10(Predicted)
Appearance: Purple to black Liquid
CAS DataBase Reference: 876343 · 876343-24-7
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 260 · P260-P280-P312
HazardClass: IRRITANT
HS Code: 2933199090 · 2933199090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (66.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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, P317, 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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (66.7%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (66.7%)；STOT SE 3 (100%)

Safety data

hs_code: 2933199090
Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Hazard statements: H302+H312+H332-H315-H319-H335
Precautionary statements: P260-P280-P312

Chemistry & industry

Applications

Uses1-ethyl-1H-pyrazol-4-amine can be used as organic synthesis intermediate and pharmaceutical intermediate, mainly used in laboratory research and development process and chemical production process.