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Xylane Diisocyanate

CAT: 1266-JH919379Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
26447-40-5
Molecular Formula
C15H10N2O2
Molecular Weight
250.25

Chemical Information

Diphenylmethane diisocyanate

Diphenylmethane-4,4'-diisocyanate is a diisocyanate consisting of diphenylmethane with two isocyanate groups at the 4- and 4'-positions. It has a role as an allergen and a hapten. It derives from a hydride of a diphenylmethane.

CAS Number26447-40-5
PubChem CID7570
IUPAC Name1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene
Molecular FormulaC15H10N2O2
Molecular Weight250.25
XLogP5.4
Topological Polar Surface Area58.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity332
SMILES
C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O
InChI
InChI=1S/C15H10N2O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19/h1-8H,9H2
InChIKey
UPMLOUAZCHDJJD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diphenylmethane diisocyanate
CAS: 26447-40-5
CID: 7570
Formula: C15H10N2O2
MW: 250.25
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight250.25
XLogP35.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass250.074227566
Monoisotopic Mass250.074227566
Topological Polar Surface Area58.9 Ų
Heavy Atom Count19
Formal Charge0
Complexity332
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

Related Products

CatalogName
JH915486Toluene diisocyanate
JH754613TRANS-1,4-CYCLOHEXANE DIISOCYANATE
JH228699Cyclohex-1,4-ylene diisocyanate
JH1718602,2,4-trimethylhexa-1,6-diyl diisocyanate
JH342604Diisocyanato (dimethyl) silane
JH6844034-IODO-M-XYLENE
JH559657(1→4)-β-D-xylan
JH140021P-Xylene-bis (N-pyridinium bromide)
JH704939Aldehydo-D-xylose
JH156870D-xylono-1,4-lactone

Alternative Products

CatalogName
439685-79-7-01Pro-xylane
TJB15646(S) -Pro-xylane
A19359-100Pro-xylane 100mg
A19359-50Pro-xylane 50mg
MBS5801135(S)-Pro-xylane
sc-252883AHexamethylene diisocyanate
TRC-I821978-10MLIsophorone Diisocyanate
TRC-B426693-1GToluene Diisocyanate
TRC-P358180-1GPentamethylene Diisocyanate
90028381Dimeryl diisocyanate

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