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Merck
CN

283541

4-Nitrophenyl isothiocyanate

98%

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About This Item

Linear Formula:
O2NC6H4NCS
CAS Number:
2131-61-5
Molecular Weight:
180.18
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24857115
EC Number:
218-359-9
Beilstein/REAXYS Number:
640027
MDL number:
MFCD00007307

Key Documents

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Product Name

4-Nitrophenyl isothiocyanate, 98%

InChI key

NXHSSIGRWJENBH-UHFFFAOYSA-N

InChI

1S/C7H4N2O2S/c10-9(11)7-3-1-6(2-4-7)8-5-12/h1-4H

SMILES string

[O-][N+](=O)c1ccc(cc1)N=C=S

assay

98%

form

powder

bp

137-138 °C/11 mmHg (lit.)

mp

110-112 °C (lit.)

functional group

isothiocyanate
nitro

Quality Level

100

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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.

pictograms

Health hazardExclamation mark
GHS08,GHS07

signalword

Danger

Hazard Classifications

Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
SDBB5147
STBL2112
STBK7821
STBK2001
STBJ5216

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Investigation into the reaction of 2-amino-4, 5-dimethylthiophene-3-carboxamide with iso (and isothio) cyanates under microwave irradiation.
Davoodnia A, et al.
Heteroatom Chem., 20(6), 346-349 (2009)
Solid?state reactivity of the hydrazine?hydroquinone complex.
Kaupp G and Schmeyers J.
Journal of Physical Organic Chemistry, 13(7), 388-394 (2000)
Exploring the nucleophilicity of N, N'-diamidocarbenes: Heteroallenes and related compounds as coupling reagents.
Lee YG, et al.
Journal of Physical Organic Chemistry, 25(11), 1027-1027 (2012)
Nargess Yousefi Limaee et al.
Journal of fluorescence, 30(2), 375-387 (2020-02-23)
Fluorescent molecularly imprinted polymer (FMIP) optosensor was utilized for the selective identification of 2,4-dichlorophenoxacetic acid (2,4-D) due to worldwide pollution caused by using herbicides in agricultural industry. In this regards, two derivatives of polymerizable 1,8-naphthalimide namely, 1,8-naphthalimide containing thiourea (NI)
Junta Sano et al.
Polymers, 12(5) (2020-05-24)
Novel interpenetrating polymer networks (IPNs) were synthesized from N-isopropylacrylamide (NIPAM) and polysiloxanes containing a urea or thiourea side group, in addition to the silanol residue, through two reactions, such as the radical gelation of NIPAM and the condensation of silanols
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