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A-Chlorodesoxybenzoin

CAT: 0286-C10830-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0286-C10830-01Size:25 g
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CAS Number
447-31-4
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00000858
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled.
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

Ethanone, 2-chloro-1,2-diphenyl-
CAS Number447-31-4
PubChem CID95343
IUPAC Name2-chloro-1,2-diphenylethanone
Molecular FormulaC14H11ClO
Molecular Weight230.69
XLogP3.4
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity227
SMILES
C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)Cl
InChI
InChI=1S/C14H11ClO/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13H
InChIKey
RXDYOLRABMJTEF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethanone, 2-chloro-1,2-diphenyl-
CAS: 447-31-4
CID: 95343
Formula: C14H11ClO
MW: 230.69
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight230.69
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass230.0498427
Monoisotopic Mass230.0498427
Topological Polar Surface Area17.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity227
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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