3-Chloro-4-methylphenyl isocyanate

ALDRICH/478245 - 98%

CAS Number: 28479-22-3
Empirical Formula (Hill Notation): C₈H₆ClNO
Molecular Weight: 167.59
EC Number: 249-050-7
MDL Number: MFCD00013858
Linear Formula: ClC₆H₃(CH₃)NCO
Product Type: Chemical

Catalog Number	PKG Qty.	Price


45-478245-5G	5 g	$78.50 1/EA	Add To Favorites

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Properties
Descriptions
Safety Info.
Basic Data

assay	98%
bp	107 °C/3 mmHg (lit.)
density	1.224 g/mL at 25 °C (lit.)
functional group	chloro
	isocyanate
InChI	1S/C8H6ClNO/c1-6-2-3-7(10-5-11)4-8(6)9/h2-4H,1H3
InChI key	UKTKKMZDESVUEE-UHFFFAOYSA-N
Quality Level	100
refractive index	n20/D 1.557 (lit.)
SMILES string	Cc1ccc(cc1Cl)N=C=O
storage temp.	2-8°C

Application:	3-Chloro-4-methylphenyl isocyanate may be used in the synthesis of the following urea compounds: • 1-(1-(1-adamantyl)methyl)-3-(3-chloro-4-methylphenyl)urea • 1-(3-chloro-4-methylphenyl)-3-heptylurea • 1-(3-chloro-4-methylphenyl)-3-cyclooctylurea • 1-(3-chloro-4-methylphenyl)-3-(3-fluorobenzyl)urea • 1-(3-chloro-4-methylphenyl)-3-(4-phenylbutan-2-yl)urea
General description:	3-Chloro-4-methylphenyl isocyanate, also known as 2-chloro-4-isocyanato-1-methylbenzene, is an organic building block containing an isocyanate group. It is formed during the photochemical degradation of linuron.
Packaging:	5 g in glass bottle

Symbol	GHS07,GHS08
Signal word	Danger
Hazard statements	H302 + H312 + H332 - H315 - H319 - H334 - H335
Precautionary statements	P280 - P301 + P312 + P330 - P302 + P352 + P312 - P305 + P351 + P338
Hazard Codes	Xn
Risk Statements	20/21/22-36/37/38-42
Safety Statements	23-26-36/37-45
RIDADR	UN 2236 6.1 / PGII
WGK Germany	WGK 1
Flash Point(F)	228.2 °F - closed cup
Flash Point(C)	109 °C - closed cup

Purity	98%
bp	107 °C/3 mmHg (lit.)
Density	1.224 g/mL at 25 °C (lit.)
Refractive Index	n20/D 1.557 (lit.)
Storage Temp.	2-8°C
UNSPSC	12352100

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