2-Iodophenyl isocyanate - CAS 128255-31-2

Catalog:	BB006888
Product Name:	2-Iodophenyl isocyanate
CAS:	128255-31-2
Synonyms:	1-iodo-2-isocyanatobenzene

Technical Data

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Computed Properties

IUPAC Name:	1-iodo-2-isocyanatobenzene
Description:	2-Iodophenyl isocyanate (CAS# 128255-31-2 ) is a useful research chemical.
Molecular Weight:	245.02
Molecular Formula:	C7H4INO
Canonical SMILES:	C1=CC=C(C(=C1)N=C=O)I
InChI:	InChI=1S/C7H4INO/c8-6-3-1-2-4-7(6)9-5-10/h1-4H
InChI Key:	VVNMGFXOVZRKQF-UHFFFAOYSA-N
Boiling Point:	248.8 ℃ at 760 mmHg
Purity:	95 %
Density:	1.891 g/mL at 25 ℃(lit.)
Appearance:	Clear colorless to yellow liquid
MDL:	MFCD00673044
LogP:	2.25850

Publication Number	Title	Priority Date
WO-2021193950-A1	Carbodiimide composition, hardener composition, coating composition, and cured resin object	20200327
WO-2021004842-A1	Polymerizable compositions for preparing polyisocyanurate-based plastics having extended worklife	20190708
CN-111100732-A	Soap urethane lubricating grease and preparation method thereof	20181025
WO-2019197638-A1	Adducts of amine catalysts for producing isocyanurate polymers	20180413
CN-112020525-A	Adducts of amine catalysts for making isocyanurate polymers	20180413

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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:	154
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	244.93376
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	244.93376
Rotatable Bond Count:	1
Topological Polar Surface Area:	29.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4