2-Pyrazoline

HCID 66962
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Substructure searchFind similar structures

Basic information

CAS
109-98-8
Standard SMILES
C1=NNCC1
InChIKey
MCGBIXXDQFWVDW-UHFFFAOYSA-N
Molecular formula
C3H6N2
Average molar mass
70.09 g/mol
Monoisotopic mass
70.05309819

Names & identifiers

Preferred name
2-Pyrazoline
IUPAC
4,5-dihydro-1H-pyrazole
English name
2-Pyrazoline
Molecular formula
C3H6N2
Molecular weight
70.09

Names & synonyms

2-Pyrazoline109-98-84,5-Dihydro-1H-pyrazole1H-Pyrazole, 4,5-dihydro-4,5-dihydropyrazoleW1YN47L98VEINECS 203-725-22-PYRAZOLINE [MI].DELTA.2-PYRAZOLINEDTXSID80870460DELTA2-PYRAZOLINERefChem:483332
Show more names
pyrazoline2-Pyrazoline>2-PYRAZOLINE 95+%
DTXCID00818182203-725-2InChI=1/C3H6N2/c1-2-4-5-3-1/h2,5H,1,3H36118-45-3Pyrazole, dihydro-MFCD00059715EINECS 252-878-1UNII-W1YN47L98V

Database identifiers

CAS
109-98-8、36118-45-3
PubChem CID
66962
DTXSID
DTXSID80870460
UNII
W1YN47L98V
EC Number
203-725-2、252-878-1
Nikkaji
J135.600C

Properties

Computed structural properties

XLogP
-0.2
Topological polar surface area
24.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
5

Experimental & physicochemical properties

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

Physicochemical properties

Melting point
163 · 163-165 °C
Boiling point
144 °C · 144°C
Density
1 · 1,02 g/cm3
refractive index
1.487 to · 1.4870 to 1.4920
pka
4.6 · 4.60±0.70(Predicted)
form
solid

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Regulatory InformationChemical: 1H-Pyrazole, 4,5-dihydro-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

rtecs
KO0710000
ridadr
1993
risk_code
10
Signal word
Warning
Symbol(GHS)
GHS02
safety_code
16

Chemistry & industry

Applications

UsesOrganic synthesis

Upstream & downstream products

Suppliers26 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

Related reactions

3 records
New reaction record

Compound notes

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