benzoyl isocyanate

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Names

[ CAS No. ]:
4461-33-0

[ Name ]:
benzoyl isocyanate

[Synonym ]:
MFCD00002032
oxophenylmethanisocyanate
(Bz)-isocyanate
isocyanato(phenyl)methanone
Benzoyl Isocyanate
EINECS 224-717-5
Benzoylisocyanate
Benzoylisocyanat

Chemical & Physical Properties

[ Density]:
1.11 g/cm3

[ Boiling Point ]:
199.8ºC at 760 mmHg

[ Melting Point ]:
25.9°C

[ Molecular Formula ]:
C8H5NO2

[ Molecular Weight ]:
147.13100

[ Flash Point ]:
72.2ºC

[ Exact Mass ]:
147.03200

[ PSA ]:
46.50000

[ LogP ]:
1.16260

[ Index of Refraction ]:
1.5514

[ Storage condition ]:
-20°C

MSDS

Click to get detail MSDS

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302 + H312 + H332-H315-H319-H335

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

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xn: Harmful;

[ Risk Phrases ]:
R20/21/22;R36/37/38

[ Safety Phrases ]:
26-27-28-36/37/39

[ RIDADR ]:
UN 2206 6

[ WGK Germany ]:
3

[ Packaging Group ]:
II

[ Hazard Class ]:
6.1

[ HS Code ]:
2929109000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Oxalyl chloride
  • Benzamide
  • Sodium cyanate
  • Benzoyl chloride
  • N-trimethylsilylbenzamide
  • Diphosgene
  • bis(diethylamino)methylidene-diethylazanium,cyanate
  • Silver cyanate
  • 1,1-Dibenzoyl-3,3-diethylharnstoff
  • N,N-dibenzoylpyrrolidine-1-carboxamide

DownStream

  • 4,5-di-t-butoxy-2-phenyl-1,3-oxazin-6-one
  • 1-benzoyl-3,5,6-tris[(2-methylpropan-2-yl)oxy]pyridine-2,4-dione
  • 2'-Deoxyisoguanosine
  • Isocyanatomethylbenzene
  • N-(benzoylcarbamoyl)benzamide
  • Benzamide
  • N-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]benzamide
  • s-Triazine, 2,4,6-triphenyl- (8CI)
  • Benzonitrile
  • 1-Benzoyl-4,6-diphenyl-1,3,5-triazin-2-on

Customs

[ HS Code ]: 2929109000

[ Summary ]:
2929109000. other isocyanates. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Articles

Solid-phase synthesis of complex oligosaccharides using a novel capping reagent.

J. Org. Chem. 69(6) , 1853-7, (2004)

Solid-phase-supported oligosaccharide synthesis of a core N-glycan tetrasaccharide and of a trisaccharide containing the Galili antigen is reported. The synthesis is based on a hydroxymethylbenzyl ben...

Theoretical study on the reaction mechanism between 6-benzyl-6-azabicyclo[2.2.1]hept-2-ene and benzoyl isocyanate to urea and isourea.

J. Phys. Chem. A 114(8) , 2913-9, (2010)

Reaction mechanisms of the 6-benzyl-6-azabicyclo[2.2.1]hept-2-ene with benzoyl isocyanate have been investigated using density functional theory (DFT) at the B3LYP/6-31G(d,p) level of theory. The reac...


More Articles

Related Compounds

  • chlorobenzoyl isocyanate
  • 2-iodobenzoyl isocyanate
  • 2-bromobenzoyl isocyanate
  • 2-ethylbenzoyl isocyanate
  • 4-nitrobenzoyl isocyanate
  • 3-nitrobenzoyl isocyanate
  • 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
  • 1-(2-Hydroxy-6-aza-bicyclo[3.2.1]oct-6-YL)-ethanone
  • 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
  • 2,2-Bis(hydroxymethyl)propane-1,3-diyl dipentanoate
  • 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