4-Nitrophenyl isothiocyanate

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Names

[ CAS No. ]:
2131-61-5

[ Name ]:
4-Nitrophenyl isothiocyanate

[Synonym ]:
Benzene, 1-isothiocyanato-4-nitro-
4-nitro-phenyl isothiocyanate
1-Isothiocyanato-4-nitrobenzene
EINECS 218-359-9
p-Nitrophenyl isothiocyanate
MFCD00007307
4-Nitrophenyl isothiocyanate
Isothiocyanic Acid 4-Nitrophenyl Ester
para-nitrophenylisothiocyanate
N-p-nitrophenyl isothiocyanate
4-nitrobenzenisothiocyanate
Benzene,1-isothiocyanato-4-nitro

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
331.1±25.0 °C at 760 mmHg

[ Melting Point ]:
110-112 °C(lit.)

[ Molecular Formula ]:
C7H4N2O2S

[ Molecular Weight ]:
180.184

[ Flash Point ]:
154.1±23.2 °C

[ Exact Mass ]:
179.999344

[ PSA ]:
90.27000

[ LogP ]:
3.62

[ Vapour Pressure ]:
0.0±0.7 mmHg at 25°C

[ Index of Refraction ]:
1.632

MSDS

Click to get detail MSDS

Safety Information

[ Symbol ]:

GHS07, GHS08

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H315-H317-H319-H334-H335

[ Precautionary Statements ]:
P261-P280-P305 + P351 + P338-P342 + P311

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Faceshields;Gloves

[ Hazard Codes ]:
Xn: Harmful;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S22-S26-S36

[ RIDADR ]:
2811

[ WGK Germany ]:
3

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1(b)

[ HS Code ]:
2930909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 4-HYDROXYBUTYROPHENONE
  • Carbon disulphide
  • 4-Nitroaniline
  • O-phenyl N-(4-nitrophenyl)carbamothioate
  • Thiophosgene
  • 4-nitrobenzenesulfenyl chloride
  • Trimethylsilyl cyanide
  • 1,1'-Carbonothioyldi(2(1H)-pyridinone)
  • Benzenamine,4-nitro-N-(triphenylphosphoranylidene)-

DownStream

  • 1-naphthalen-1-yl-3-(4-nitrophenyl)thiourea
  • (4-nitrophenyl)thiourea
  • 4-(3-NITROPHENYL)-3-THIOSEMICARBAZIDE
  • 4-Nitroaniline
  • 5H-Tetrazole-5-thione,1,2-dihydro-1-(4-nitrophenyl)-
  • 1,3-Bis(4-nitrophenyl)thiourea
  • p-Thiocyanatoaniline
  • 1,2,3-tris(4-nitrophenyl)guanidine
  • 1-(4-nitrophenyl)-3-propan-2-ylthiourea

Customs

[ HS Code ]: 2930909090

[ Summary ]:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Articles

UV-visible and (1)H-(15)N NMR spectroscopic studies of colorimetric thiosemicarbazide anion sensors.

Org. Biomol. Chem. 13(6) , 1662-72, (2015)

Four model thiosemicarbazide anion chemosensors containing three N-H bonds, substituted with phenyl and/or 4-nitrophenyl units, were synthesised and studied for their anion binding abilities with hydr...

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) , 346-9, (2009)

Exploring the nucleophilicity of N, N'-diamidocarbenes: Heteroallenes and related compounds as coupling reagents. Lee YG, et al.

J. Phys. Org. Chem. 25(11) , 1027, (2012)


More Articles

Related Compounds

  • 2-Methyl-4-nitrophenyl isothiocyanate
  • 2-chloro-4-nitrophenyl isothiocyanate
  • 2-methoxy-4-nitrophenyl isothiocyanate
  • 4-chloro-3-nitrophenyl isothiocyanate
  • 4-methoxy-2-nitrophenyl isothiocyanate
  • 4-methyl-2-nitrophenyl isothiocyanate
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • 3-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-5-amine
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • tert-butyl N-[(1S)-1-[3-[3-amino-4-chloro-1-(2,2,2-trifluoroethyl)indazol-7-yl]-6-(3-methyl-3-methylsulfonylbut-1-ynyl)pyridin-2-yl]-2-(3,5-difluorophenyl)ethyl]carbamate