1-Ethylpyrazole

HCID 498446
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
2817-71-2
Standard SMILES
CCn1cccn1
InChIKey
FLNMQGISZVYIIK-UHFFFAOYSA-N
Molecular formula
C5H8N2
Average molar mass
96.13 g/mol
Monoisotopic mass
96.06874826

Names & identifiers

Preferred name
1-Ethylpyrazole
IUPAC
1-ethylpyrazole
English name
1-Ethylpyrazole
Molecular formula
C5H8N2
Molecular weight
96.13

Names & synonyms

1-ethylpyrazoleDTXSID50333310RefChem:432656DTXCID602844001-ethyl-1H-pyrazole2817-71-21H-Pyrazole, 1-ethyl-MFCD03444367N-Ethylpyrazolepyrazole, 1-ethyl-SCHEMBL5384SCHEMBL10680
Show more names
C5H8N2AKOS B006762AKOS PAO-11411-Ethylpyrazole NOART-CHEM-BB B0067621-Ethylpyrazole >1H-Pyrazole, 1-ethyl-
SCHEMBL104566SCHEMBL126754SCHEMBL289904SCHEMBL298218orb3181158SCHEMBL9902194SCHEMBL17255771ALBB-004429

Database identifiers

CAS
2817-71-2
PubChem CID
498446
DTXSID
DTXSID50333310
EC Number
808-102-4
Nikkaji
J908.618H

Properties

Computed structural properties

XLogP
-0.1
Topological polar surface area
17.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
7

Experimental & physicochemical properties

Kovats Retention Index809

Physicochemical properties

Melting point
82.75 °C · 82.75°C (estimate)
Boiling point
137 °C · 137°C(lit.)
Density
0.9537 · 0.9537
refractive index
1.467 to · 1.4670 to 1.4710
storage temp.
Sealed in dry,Room Temperature
pka
2.27 · 2.27±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H226 (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 exposure; Respiratory 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 information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (50%)

Safety data

ridadr
UN 1993 3/PG III
hs_code
2933998090
Signal word
Warning
Symbol(GHS)
GHS07,GHS02
hazard_class
IRRITANT
packing_group
III

Chemistry & industry

Upstream & downstream products

Suppliers100 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]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [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]

Related reactions

2 records
New reaction record

Compound notes

Loading…