2-Methoxybenzyl isocyanate - CAS 93489-08-8

Name: 2-Methoxybenzyl isocyanate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB040940
Product Name:	2-Methoxybenzyl isocyanate
CAS:	93489-08-8
Synonyms:	1-(isocyanatomethyl)-2-methoxybenzene

Technical Data

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Patents

Computed Properties

IUPAC Name:	1-(isocyanatomethyl)-2-methoxybenzene
Description:	2-Methoxybenzyl isocyanate (CAS# 93489-08-8) is a useful reagent for the preparation of amidopropanoic acids.
Molecular Weight:	163.17
Molecular Formula:	C9H9NO2
Canonical SMILES:	COC1=CC=CC=C1CN=C=O
InChI:	InChI=1S/C9H9NO2/c1-12-9-5-3-2-4-8(9)6-10-7-11/h2-5H,6H2,1H3
InChI Key:	DTKFYMTVYBPJRC-UHFFFAOYSA-N
Boiling Point:	231-232 °C
Purity:	95 %
Density:	1.060 g/cm³
Appearance:	Colorless to orange liquid
MDL:	MFCD03427182
LogP:	1.53100

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[937273-31-9]C12H14ClNO4
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[62838-59-9]C8H12N2
1-Cyclopentyl-1H-pyrazole
[1243387-55-4]C10H8F3NO3
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[78056-67-4]C14H18N2
2-(1-Benzyl-4-piperidyl)acetonitrile
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

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-2021069705-A1	Isoindolinone compounds	20191009
TW-202003448-A	Adducts of amine catalysts for producing isocyanurate polymers	20180413
WO-2019197638-A1	Adducts of amine catalysts for producing isocyanurate polymers	20180413

Complexity:	175
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	163.063328530
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	163.063328530
Rotatable Bond Count:	3
Topological Polar Surface Area:	38.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8