4-Biphenylyl isocyanate - CAS 92-95-5

Catalog:	BB040726
Product Name:	4-Biphenylyl isocyanate
CAS:	92-95-5
Synonyms:	1-isocyanato-4-phenylbenzene

Technical Data

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Computed Properties

IUPAC Name:	1-isocyanato-4-phenylbenzene
Description:	4-Biphenylyl isocyanate (CAS# 92-95-5) is a useful research chemical.
Molecular Weight:	195.22
Molecular Formula:	C13H9NO
Canonical SMILES:	C1=CC=C(C=C1)C2=CC=C(C=C2)N=C=O
InChI:	InChI=1S/C13H9NO/c15-10-14-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H
InChI Key:	WIRPZDICFIIBRF-UHFFFAOYSA-N
Boiling Point:	110 °C (1 torr)
Density:	1.04 g/cm³
MDL:	MFCD00037089
LogP:	3.32090

Publication Number	Title	Priority Date
CN-113354778-A	Solid polycarboxylic acid water reducing agent and preparation method thereof	20210726
US-2021249689-A1	Silicon-based energy storage devices with electrolyte containing cyanate based compounds	20200203
WO-2021158366-A1	Silicon-based energy storage devices with electrolyte containing cyanate based compounds	20200203
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

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Related Functional Groups

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

Complexity:	231
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	195.068413911
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	195.068413911
Rotatable Bond Count:	2
Topological Polar Surface Area:	29.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.8