3-Methoxybenzyl isocyanate

ALDRICH/557099 - 97%

CAS Number: 57198-56-8
Empirical Formula (Hill Notation): C₉H₉NO₂
Molecular Weight: 163.17
MDL Number: MFCD03427184
Linear Formula: CH₃OC₆H₄CH₂NCO
Product Type: Chemical

Catalog Number	PKG Qty.	Price	Quantity


45-557099-1G	1 g	$201.00 1/EA		Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

assay	97%
density	1.136 g/mL at 25 °C (lit.)
functional group	amine
	isocyanate
InChI	1S/C9H9NO2/c1-12-9-4-2-3-8(5-9)6-10-7-11/h2-5H,6H2,1H3
InChI key	QWGAJMDRYUIPIT-UHFFFAOYSA-N
Quality Level	100
refractive index	n20/D 1.5320 (lit.)
SMILES string	COc1cccc(CN=C=O)c1
storage temp.	2-8°C

Application:	3-Methoxybenzyl isocyanate may be used to synthesize the following thiourea derivatives: • 1-(3-methoxybenzyl)-3-dodecyl thiourea • 1-(3-methoxybenzyl)-3-octyl thiourea • 1,3-di(3-methoxybenzyl) thiourea • 1-(3-methoxybenzyl)-3-octadecyl thiourea
Disclaimer:	Refrigerate
General description:	3-Methoxybenzyl isocyanate (3MBITC) is the degradation product of glucolimnanthin, a glucosinolate found in meadowfoam (Limnanthes alba) seed oil.
Packaging:	1, 5 g in glass bottle

Symbol	GHS02,GHS07,GHS08
Signal word	Danger
Hazard statements	H226 - H302 + H312 + H332 - H315 - H317 - H319 - H334 - H335
Precautionary statements	P210 - P233 - P280 - P301 + P312 - P303 + P361 + P353 - P305 + P351 + P338
Hazard Codes	Xn
Risk Statements	10-20/21/22-36/37/38-42
Safety Statements	16-23-26-36/37/39-45
RIDADR	UN 1993C 3 / PGIII
WGK Germany	WGK 3
Flash Point(F)	80.1 °F - closed cup
Flash Point(C)	26.7 °C - closed cup

Purity	97%
Density	1.136 g/mL at 25 °C (lit.)
Refractive Index	n20/D 1.5320 (lit.)
Storage Temp.	2-8°C
UNSPSC	12352100

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