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2 6-Dichlorophenylacetonitrile 97%

CAT: 0286-D16530-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0286-D16530-01Size:25 g
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CAS Number
3215-64-3
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00001901
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled.
DOT Name
Not D.O.T.-Regulated
Precautions
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

(2,6-Dichlorophenyl)acetonitrile
CAS Number3215-64-3
PubChem CID76678
IUPAC Name2-(2,6-dichlorophenyl)acetonitrile
Molecular FormulaC8H5Cl2N
Molecular Weight186.03
XLogP2.8
Topological Polar Surface Area23.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity162
SMILES
C1=CC(=C(C(=C1)Cl)CC#N)Cl
InChI
InChI=1S/C8H5Cl2N/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4H2
InChIKey
AOEJUUCUKRUCEF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2,6-Dichlorophenyl)acetonitrile
CAS: 3215-64-3
CID: 76678
Formula: C8H5Cl2N
MW: 186.03
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight186.03
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass184.9799046
Monoisotopic Mass184.9799046
Topological Polar Surface Area23.8 Ų
Heavy Atom Count11
Formal Charge0
Complexity162
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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