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2-Chlorocyclohexanone 95%

CAT: 0286-C10710-01Size: 10 gDry Ice: NoHazardous: Yes
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CAT#:0286-C10710-01Size:10 g
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CAS Number
822-87-7
UN Code
UN3335
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00001626
Hazard Statement
H302 Harmful if swallowed; H315 Causes skin irritation; H317 May cause an allergic skin reaction; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Aviation Regulated Solid, N.O.S.
DOT Classification
Class 9
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; P333+P313 IF SKIN irritation or rash occurs: Get medical advice/attention.

Chemical Information

2-Chlorocyclohexanone

structure given in first source

CAS Number822-87-7
PubChem CID13203
IUPAC Name2-chlorocyclohexan-1-one
Molecular FormulaC6H9ClO
Molecular Weight132.59
XLogP1.5
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity101
SMILES
C1CCC(=O)C(C1)Cl
InChI
InChI=1S/C6H9ClO/c7-5-3-1-2-4-6(5)8/h5H,1-4H2
InChIKey
CCHNWURRBFGQCD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chlorocyclohexanone
CAS: 822-87-7
CID: 13203
Formula: C6H9ClO
MW: 132.59
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight132.59
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass132.0341926
Monoisotopic Mass132.0341926
Topological Polar Surface Area17.1 Ų
Heavy Atom Count8
Formal Charge0
Complexity101
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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