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HCID 498446Erstellt: 27. Oktober 2026

1-Ethylpyrazole

1-ETHYL-1H-PYRAZOLE · C5H8N2 · Albb-004429 · AKOS B006762 · AKOS PAO-1141 · 1-ETHYLPYRAZOLE · 1-Ethylpyrazole NO · ART-CHEM-BB B006762

https://huagongshe.com/de/chemical/498446

Identifikatoren & physikalische Daten

CAS No.	2817-71-2
Summenformel	C5H8N2
Durchschnittliche Molmasse	96,13 g/mol
Monoisotopische Masse	96,06874826 g/mol
SMILES	CCn1cccn1
InChIKey	FLNMQGISZVYIIK-UHFFFAOYSA-N
PubChem CID	498446
EC No.	808-102-4
DTXSID	DTXSID50333310

Chemische & physikalische Eigenschaften

XLogP	-0,1
Polarare Oberfläche (TPSA)	17,8
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	1
Schwere Atome	7
Formalladung	0
Komplexität	54
Kovats Retention Index	809
Schmelzpunkt	82.75°C (estimate)
Siedepunkt	137°C(lit.)
Dichte	0.9537
Brechungsindex	1.4670 to 1.4710
Lagerbedingungen	Sealed in dry,Room Temperature
pKa (Säurekonstante)	2.27±0.10(Predicted)
Aggregatzustand	clear liquid to cloudy liquid
Farbe	Colorless to Light yellow
InChI	InChI=1S/C5H8N2/c1-2-7-5-3-4-6-7/h3-5H,2H2,1H3
InChIKey	FLNMQGISZVYIIK-UHFFFAOYSA-N
SMILES	N1(CC)C=CC=N1

Sicherheit & Vorschriften

GHS-Einstufung	WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 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 Classes and Categories	Flam. Liq. 3 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (50%)
UN-Transportnummer	UN 1993 3/PG III
Zollcode	2933998090
Gefahrenklasse	IRRITANT
Verpackungsgruppe	III

CAS No.

2817-71-2

Summenformel

C5H8N2

Durchschnittliche Molmasse

96,13 g/mol

Monoisotopische Masse

96,06874826 g/mol

SMILES

CCn1cccn1

InChIKey

FLNMQGISZVYIIK-UHFFFAOYSA-N

PubChem CID

498446

EC No.

808-102-4

DTXSID

DTXSID50333310

Chemische & physikalische Eigenschaften

XLogP

-0,1

Polarare Oberfläche (TPSA)

17,8

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

Kovats Retention Index

809

Schmelzpunkt

82.75°C (estimate)

Siedepunkt

137°C(lit.)

Dichte

0.9537

Brechungsindex

1.4670 to 1.4710

Lagerbedingungen

Sealed in dry,Room Temperature

pKa (Säurekonstante)

2.27±0.10(Predicted)

Aggregatzustand

clear liquid to cloudy liquid

Farbe

Colorless to Light yellow

InChI

InChI=1S/C5H8N2/c1-2-7-5-3-4-6-7/h3-5H,2H2,1H3

InChIKey

FLNMQGISZVYIIK-UHFFFAOYSA-N

SMILES

N1(CC)C=CC=N1

Sicherheit & Vorschriften

GHS-Einstufung

WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 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 Classes and Categories

Flam. Liq. 3 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (50%)

UN-Transportnummer

UN 1993 3/PG III

Zollcode

2933998090

Gefahrenklasse

IRRITANT

Verpackungsgruppe

III