| Identification | More | [Name]
4-NITROPHENYL ISOTHIOCYANATE | [CAS]
2131-61-5 | [Synonyms]
1-ISOTHIOCYANATO-4-NITROBENZENE
4-NITROPHENYL ISOTHIOCYANATE
P-NITROPHENYL ISOTHIOCYANATE
1-isothiocyanato-4-nitro-benzen
Isothiocyanic Acid 4-Nitrophenyl Ester | [EINECS(EC#)]
218-359-9 | [Molecular Formula]
C7H4N2O2S | [MDL Number]
MFCD00007307 | [Molecular Weight]
180.18 | [MOL File]
2131-61-5.mol |
| Chemical Properties | Back Directory | [Appearance]
yellow crystalline powder | [Melting point ]
110-112 °C(lit.) | [Boiling point ]
137-138 °C11 mm Hg(lit.) | [density ]
1.4360 (rough estimate) | [refractive index ]
1.6000 (estimate) | [Fp ]
137-138°C/11mm | [storage temp. ]
Store at <= 20°C. | [solubility ]
Very slightly soluble in alcohol and oils. | [form ]
powder to crystal | [color ]
Light orange to Yellow to Green | [Odor]
Pungent-sweet herbaceous-spicy odor with resemblance to Bitter-almond and remote similarity to Heliotropine. | [Water Solubility ]
It hydrolyzes with water. Soluble in toluene. | [Sensitive ]
Moisture Sensitive | [BRN ]
640027 | [InChIKey]
NXHSSIGRWJENBH-UHFFFAOYSA-N | [CAS DataBase Reference]
2131-61-5(CAS DataBase Reference) | [EPA Substance Registry System]
Benzene, 1-isothiocyanato-4-nitro- (2131-61-5) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R42:May cause sensitization by inhalation. | [Safety Statements ]
S22:Do not breathe dust .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [RIDADR ]
2811 | [WGK Germany ]
3
| [F ]
10-21 | [TSCA ]
Yes | [HazardClass ]
6.1(b) | [PackingGroup ]
III | [HS Code ]
29309090 |
| Hazard Information | Back Directory | [Chemical Properties]
yellow crystalline powder | [Uses]
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
| [Uses]
4-Nitrophenyl isothiocyanate is used as specializing in synthesizing of organic fine chemicals and pharmaceutical intermediates for use in development and production | [Production Methods]
4-nitrophenyl isothiocyanat can be produced from para-Nitroaniline with Thiophosgene, or
from para-Nitrothiocarbanilide by heating
with diluted sulfuric acid. | [Synthesis Reference(s)]
The Journal of Organic Chemistry, 37, p. 1360, 1972 DOI: 10.1021/jo00974a016 | [General Description]
The solid-state reactivity of hydrazine hydrochloride with 4-nitrophenyl isothiocyanate was studied. |
|
| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
|
| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
|