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E-Chlorocapronitrile 98%

CAT: 0286-C10400-02Size: 5 gDry Ice: NoHazardous: No
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CAT#:0286-C10400-02Size:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6628-78-0
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00039502
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

6-Chlorohexanenitrile
CAS Number6628-78-0
PubChem CID246522
IUPAC Name6-chlorohexanenitrile
Molecular FormulaC6H10ClN
Molecular Weight131.60
XLogP1.6
Topological Polar Surface Area23.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count8
Formal Charge0
Complexity81
SMILES
C(CCC#N)CCCl
InChI
InChI=1S/C6H10ClN/c7-5-3-1-2-4-6-8/h1-5H2
InChIKey
PLKNMBFMTVKLEW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Chlorohexanenitrile
CAS: 6628-78-0
CID: 246522
Formula: C6H10ClN
MW: 131.60
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight131.60
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass131.0501770
Monoisotopic Mass131.0501770
Topological Polar Surface Area23.8 Ų
Heavy Atom Count8
Formal Charge0
Complexity81.8
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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