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4 4'-Dimethylbenzil 95%

CAT: 0286-D37548-01Size: 1 gDry Ice: NoHazardous: No
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CAS Number
3457-48-5
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00008554
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

1,2-Bis(4-methylphenyl)-1,2-ethanedione

structure given in first source

CAS Number3457-48-5
PubChem CID76996
IUPAC Name1,2-bis(4-methylphenyl)ethane-1,2-dione
Molecular FormulaC16H14O2
Molecular Weight238.28
XLogP4.1
Topological Polar Surface Area34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity273
SMILES
CC1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)C
InChI
InChI=1S/C16H14O2/c1-11-3-7-13(8-4-11)15(17)16(18)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKey
BCWCEHMHCDCJAD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,2-Bis(4-methylphenyl)-1,2-ethanedione
CAS: 3457-48-5
CID: 76996
Formula: C16H14O2
MW: 238.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight238.28
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass238.099379685
Monoisotopic Mass238.099379685
Topological Polar Surface Area34.1 Ų
Heavy Atom Count18
Formal Charge0
Complexity273
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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CatalogName
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