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25854-16-4

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Basic Information
CAS No.: 25854-16-4
Name: 1,2-Bis(isocyanatomethyl)benzene
Molecular Structure:
Molecular Structure of 25854-16-4 (1,2-Bis(isocyanatomethyl)benzene)
Formula: C10H8 N2 O2
Molecular Weight: 188.18
Synonyms: Isocyanicacid, phenylenedimethylene ester (6CI,7CI,8CI); Bis(isocyanatomethyl)benzene;Diisocyanatomethylbenzene; Phenylenedimethylene isocyanate; XDI; Xylylenediisocyanate; w,w'-Diisocyanatodimethylbenzene
EINECS: 247-299-6
Density: 1.11g/cm3
Boiling Point: 288.2°Cat760mmHg
Flash Point: 116.6°C
PSA: 58.86000
LogP: 1.35820
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Chemistry

Molecular Structure of 1,2-Bis(isocyanatomethyl)benzene (CAS NO.25854-16-4):

IUPAC Name: 1,2-Bis(isocyanatomethyl)benzene
Molecular Formula: C10H8N2O2
Molecular Weight: 188.18
EINECS: 247-299-6 
XLogP3-AA: 3.4
H-Bond Donor: 0
H-Bond Acceptor: 4
Index of Refraction: 1.55
Molar Refractivity: 53.89 cm3
Molar Volume: 169 cm3
Surface Tension: 44.4 dyne/cm
Density: 1.11 g/cm3
Flash Point: 116.6 °C
Enthalpy of Vaporization: 52.74 kJ/mol
Boiling Point: 288.2 °C at 760 mmHg
Vapour Pressure: 0.00238 mmHg at 25 °C
Canonical SMILES: C1=CC=C(C(=C1)CN=C=O)CN=C=O
InChIKey: FKTHNVSLHLHISI-UHFFFAOYSA-N
InChI: InChI=1S/C10H8N2O2/c13-7-11-5-9-3-1-2-4-10(9)6-12-8-14/h1-4H,5-6H2

Specification

 1,2-Bis(isocyanatomethyl)benzene (CAS NO.25854-16-4), its Synonyms are Benzene, bis(isocyanatomethyl)- ; Bis(isocyanatomethyl)benzene ; Xylylene diisocyanate ; o-Xylylene diisocyanate ; Isocyanicacid, phenylenedimethylene ester (6CI,7CI,8CI) ; ;Diisocyanatomethylbenzene ; Phenylenedimethylene isocyanate ; XDI ; Xylylenediisocyanate ; w,w'-Diisocyanatodimethylbenzene .