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Trans-1 2-Dibenzoylethylene 97%

CAT: 0286-D08060-01Size: 5 gDry Ice: NoHazardous: No
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CAS Number
4070-75-1
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00003083
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

trans-1,4-Diphenyl-2-butene-1,4-dione

See also: 1,4-Diphenylbut-2-ene-1,4-dione (annotation moved to).

CAS Number4070-75-1
PubChem CID735960
IUPAC Name(E)-1,4-diphenylbut-2-ene-1,4-dione
Molecular FormulaC16H12O2
Molecular Weight236.26
XLogP3.2
Topological Polar Surface Area34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity286
SMILES
C1=CC=C(C=C1)C(=O)/C=C/C(=O)C2=CC=CC=C2
InChI
InChI=1S/C16H12O2/c17-15(13-7-3-1-4-8-13)11-12-16(18)14-9-5-2-6-10-14/h1-12H/b12-11+
InChIKey
WYCXGQSQHAXLPK-VAWYXSNFSA-N
Chemical Structure
2D Structure
2D structure of trans-1,4-Diphenyl-2-butene-1,4-dione
CAS: 4070-75-1
CID: 735960
Formula: C16H12O2
MW: 236.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight236.26
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass236.083729621
Monoisotopic Mass236.083729621
Topological Polar Surface Area34.1 Ų
Heavy Atom Count18
Formal Charge0
Complexity286
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
OR1023648-01Trans-1,2-Dibenzoylethylene
GK8553-100gTrans, trans-2,4-Hexadien-1-ol
OR1015248-01Trans, trans-2,4-Decadien-1-al
90027824trans,trans-2,4-Hexadien-1-ol
sc-272676Trans, trans-2,4-Decadien-1-ol
FT76176-01(+/-) -Trans-1,2-diaminocyclohexane
ABA71233Trans-1,2-Cyclohexanedimethanol
TRC-D487505-1MGtrans-1,2-Diphenylcyclobutane
TRC-D416095-1G(±)-trans-1,2-Diaminocyclohexane
TRC-D464925-5MGtrans-1,2-Dimethylcyclopentane

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