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5-Chloro-1,3-dimethylpyrazole

CAT: 0286-C11622-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0286-C11622-01Size:1 g
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CAS Number
54454-10-3
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00051650
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention; P405 Store locked up.

Chemical Information

5-Chloro-1,3-dimethylpyrazole
CAS Number54454-10-3
PubChem CID521507
IUPAC Name5-chloro-1,3-dimethylpyrazole
Molecular FormulaC5H7ClN2
Molecular Weight130.57
XLogP1.6
Topological Polar Surface Area17.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity86
SMILES
CC1=NN(C(=C1)Cl)C
InChI
InChI=1S/C5H7ClN2/c1-4-3-5(6)8(2)7-4/h3H,1-2H3
InChIKey
DDUSLFAWARYAPR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Chloro-1,3-dimethylpyrazole
CAS: 54454-10-3
CID: 521507
Formula: C5H7ClN2
MW: 130.57
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight130.57
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass130.0297759
Monoisotopic Mass130.0297759
Topological Polar Surface Area17.8 Ų
Heavy Atom Count8
Formal Charge0
Complexity86.5
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