3-Nitrophenyl isothiocyanate

ALDRICH/487376 - 98%

CAS Number: 3529-82-6
Empirical Formula (Hill Notation): C₇H₄N₂O₂S
Molecular Weight: 180.18
MDL Number: MFCD00041245
Linear Formula: O₂NC₆H₄NCS
Product Type: Chemical

Catalog Number	PKG Qty.	Price	Quantity


45-487376-10G	10 g	$276.00 1/EA		Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

assay	98%
functional group	isothiocyanate
	nitro
InChI	1S/C7H4N2O2S/c10-9(11)7-3-1-2-6(4-7)8-5-12/h1-4H
InChI key	OEZXLKSZOAWNJU-UHFFFAOYSA-N
mp	57-60 °C (lit.)
Quality Level	100
SMILES string	[O-][N+](=O)c1cccc(c1)N=C=S
storage temp.	2-8°C

Application:	3-Nitrophenyl isothiocyanate may be used in the synthesis of 2-[(3-nitrophenyl)amino]naphtho[2,1-b]furo-5H-[3,2-d][1,3,4]thiadiazolo[3,2-a]pyrimidin- 5-one and 5-methyl-3-(3-nitrophenyl)-2-thiooxazolidin-4-one. It may be used in the synthesis of the following thiourea derivatives: • N-[(3-chlorophenyl)methyl]-N′-(3-nitrophenyl)thiourea • N-[(5-chloro-2-methoxyphenyl)methyl]-N′-(3-nitrophenyl)thiourea • R/S-N-[6-chlorochroman-4-yl]-N′-(3-nitrophenyl)thiourea
General description:	3-Nitrophenyl isothiocyanate, also known as 1-isothiocyanato-3-nitrobenzene, is an organic building block containing an isocyanate group. Its enthalpy of vaporization at boiling point has been reported. Some of its physical properties like freezing point, boiling point, density and refractive index have been evaluated. Its synthesis from 3-nitroaniline has been reported.
Packaging:	10 g in glass bottle

Symbol	GHS05
Signal word	Danger
Hazard statements	H314
Precautionary statements	P280 - P305 + P351 + P338 - P310
Hazard Codes	C
Risk Statements	34
Safety Statements	23-26-36/37/39-45
RIDADR	UN 3261 8 / PGIII
WGK Germany	WGK 3
Flash Point(F)	Not applicable
Flash Point(C)	Not applicable

Purity	98%
mp	57-60 °C (lit.)
Storage Temp.	2-8°C
UNSPSC	12352100

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