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4,5-Dichloroimidazole

CAT: 0286-D15560-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0286-D15560-01Size:1 g
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CAS Number
15965-30-7
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00005195
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.

Chemical Information

4,5-Dichloroimidazole
CAS Number15965-30-7
PubChem CID140018
IUPAC Name4,5-dichloro-1H-imidazole
Molecular FormulaC3H2Cl2N2
Molecular Weight136.96
XLogP2
Topological Polar Surface Area28.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity68
SMILES
C1=NC(=C(N1)Cl)Cl
InChI
InChI=1S/C3H2Cl2N2/c4-2-3(5)7-1-6-2/h1H,(H,6,7)
InChIKey
QAJJXHRQPLATMK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,5-Dichloroimidazole
CAS: 15965-30-7
CID: 140018
Formula: C3H2Cl2N2
MW: 136.96
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight136.96
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass135.9595035
Monoisotopic Mass135.9595035
Topological Polar Surface Area28.7 Ų
Heavy Atom Count7
Formal Charge0
Complexity68
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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