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5-Chloro-1H-pyrazole

CAT: 1266-JH634516Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1266-JH634516Size:1 Each
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
14339-33-4
UN Code
UN 3335
Hazard Statement
Xi
Stability
Stable under normal temperatures and pressures.
Molecular Formula
C3H3ClN2
Molecular Weight
102.52
Product Name Synonym
3-Chlor-pyrazol
Physical Properties
Beige Solid
Hazardous Class
6.1
Safety Statements
S26-S37/39
Density
0.99g/cm3
Flash Point
159.1oC
RIDADR
UN 3335
Melting Point
234-236oC

Chemical Information

3-Chloro-1H-pyrazole
CAS Number14339-33-4
PubChem CID6426710
IUPAC Name5-chloro-1H-pyrazole
Molecular FormulaC3H3ClN2
Molecular Weight102.52
XLogP1.2
Topological Polar Surface Area28.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count6
Formal Charge0
Complexity48
SMILES
C1=C(NN=C1)Cl
InChI
InChI=1S/C3H3ClN2/c4-3-1-2-5-6-3/h1-2H,(H,5,6)
InChIKey
IJPFBRONCJOTTA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Chloro-1H-pyrazole
CAS: 14339-33-4
CID: 6426710
Formula: C3H3ClN2
MW: 102.52
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight102.52
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass101.9984758
Monoisotopic Mass101.9984758
Topological Polar Surface Area28.7 Ų
Heavy Atom Count6
Formal Charge0
Complexity48.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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