3,3-Diphenylpropyl isocyanate - CAS 41347-11-9

Catalog:	BB024861
Product Name:	3,3-Diphenylpropyl isocyanate
CAS:	41347-11-9
Synonyms:	(3-isocyanato-1-phenylpropyl)benzene

Technical Data

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Computed Properties

IUPAC Name:	(3-isocyanato-1-phenylpropyl)benzene
Description:	3,3-Diphenylpropyl isocyanate (CAS# 41347-11-9 ) is a useful research chemical.
Molecular Weight:	237.30
Molecular Formula:	C16H15NO
Canonical SMILES:	C1=CC=C(C=C1)C(CCN=C=O)C2=CC=CC=C2
InChI:	InChI=1S/C16H15NO/c18-13-17-12-11-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16H,11-12H2
InChI Key:	BYTUPWXAZYPWKE-UHFFFAOYSA-N
MDL:	MFCD10566941
LogP:	3.54440

Publication Number	Title	Priority Date
US-2021174983-A1	Compositions for the filling of high aspect ratio vertical interconnect access (via) holes	20191204
WO-2021112933-A1	Compositions for the filling of high aspect ratio vertical interconnect access (via) holes	20191204
WO-2021004842-A1	Polymerizable compositions for preparing polyisocyanurate-based plastics having extended worklife	20190708
TW-202003448-A	Adducts of amine catalysts for producing isocyanurate polymers	20180413
WO-2019197638-A1	Adducts of amine catalysts for producing isocyanurate polymers	20180413

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[333311-69-6]
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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P285, P301+P312, P302+P352, P304+P312, P304+P340, P304+P341, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P342+P311, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	253
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	237.115364102
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	237.115364102
Rotatable Bond Count:	5
Topological Polar Surface Area:	29.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.8