4-Nitrophenyl isothiocyanate

ALDRICH/283541 - 98%

CAS Number: 2131-61-5
Empirical Formula (Hill Notation): C₇H₄N₂O₂S
Molecular Weight: 180.18
EC Number: 218-359-9
MDL Number: MFCD00007307
Linear Formula: O₂NC₆H₄NCS
Product Type: Chemical

Catalog Number	PKG Qty.	Price	Quantity


45-283541-5G	5 g	$89.80 1/EA		Add To Favorites
45-283541-25G	25 g	$93.40 1/EA		Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

assay	98%
bp	137-138 °C/11 mmHg (lit.)
form	powder
functional group	isothiocyanate
	nitro
InChI	1S/C7H4N2O2S/c10-9(11)7-3-1-6(2-4-7)8-5-12/h1-4H
InChI key	NXHSSIGRWJENBH-UHFFFAOYSA-N
mp	110-112 °C (lit.)
Quality Level	100
SMILES string	[O-][N+](=O)c1ccc(cc1)N=C=S

Application:	4-Nitrophenyl isothiocyanate has been used in the synthesis of: • 5,6-dimethyl-2-[(4-nitrophenyl)amino]thieno[2,3-d]pyrimidin-4(3H)-one • 4,5-dimethyl-2-substituted carbamothioylaminothiophene-3-carboxamides • acyclic triazene or zwitterionic dihydropyrimidinium imidothiolate derivatives
General description:	The solid-state reactivity of hydrazine hydrochloride with 4-nitrophenyl isothiocyanate was studied.
Packaging:	5, 25 g in glass bottle

Symbol	GHS07,GHS08
Signal word	Danger
Hazard statements	H315 - H317 - H319 - H334 - H335
Precautionary statements	P280 - P302 + P352 - P305 + P351 + P338
Hazard Codes	Xn
Risk Statements	36/37/38-42
Safety Statements	22-26-36
RIDADR	UN 3335
WGK Germany	WGK 3
Flash Point(F)	Not applicable
Flash Point(C)	Not applicable

Purity	98%
bp	137-138 °C/11 mmHg (lit.)
mp	110-112 °C (lit.)
UNSPSC	12352100

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