3-Cyanophenyl isocyanate

Names

[ CAS No. ]:
16413-26-6

[ Name ]:
3-Cyanophenyl isocyanate

[Synonym ]:
3-Cyanophenyl isocyanate
MFCD00013856
Benzonitrile, 3-isocyanato-
3-Isocyanatobenzonitrile

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
246.2±23.0 °C at 760 mmHg

[ Melting Point ]:
51-54 °C(lit.)

[ Molecular Formula ]:
C₈H₄N₂O

[ Molecular Weight ]:
144.130

[ Flash Point ]:
102.7±22.6 °C

[ Exact Mass ]:
144.032364

[ PSA ]:
53.22000

[ LogP ]:
2.20

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.563

MSDS

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

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

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

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

[ Hazard Codes ]:
Xn:Harmful;

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

[ Safety Phrases ]:
S7-S26-S27-S37/39-S36/37/39

[ RIDADR ]:
2206

[ WGK Germany ]:
3

[ Packaging Group ]:
II

[ Hazard Class ]:
6.1

[ HS Code ]:
2929109000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

3-methylbenzonitrile
3-Cyanobenzoic acid
phosgene
3-Aminobenzonitrile

DownStream

methyl N-(3-cyanophenyl)carbamate
N-(3-CYANOPHENYL)-N''-PHENYLUREA

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

Synthesis and activity on rat aorta rings and rat pancreatic beta-cells of ring-opened analogues of benzopyran-type potassium channel activators.

Bioorg. Med. Chem. 16(11) , 6124-30, (2008)

Ring-opened analogues of dihydrobenzopyran potassium channel openers (PCOs) were prepared and evaluated as putative PCOs on rat aorta rings (myorelaxant effect) and rat pancreatic beta-cells (inhibiti...

Synthesis and Antibacterial Activity of Urea and hiourea Derivatives at C-8 Alkyl Chain of Anacardic Acid Mixture Isolated from a Natural Product Cashew Nut Shell Liquid (CNSL). Reddy NS, et al.

Int. J. Org. Chem. 1(04) , 167, (2011)

3-CYANOPHENYL CYCLOPROPYL KETONE
(3-cyanophenyl) 3,4-diphenylcyclohex-3-ene-1-carboxylate
(3-cyanophenyl)zinc(II) chloride
3-CYANOPHENYL CYCLOHEXYL KETONE
3-cyanophenyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
(3-cyanophenyl)methyl methanesulfonate
1-(4-(6-(Pyrrolidin-1-yl)pyridazin-4-yl)piperazin-1-yl)pentan-1-one
4-(difluoromethyl)-2-methyl-N-(2-phenylphenyl)-1,3-thiazole-5-carboxamide
rel-(3-(3-Fluorophenyl)-1H-pyrazol-4-yl)((3R,4R)-3-(((2-hydroxyethyl)(methyl)amino)methyl)-4-(hydroxymethyl)pyrrolidin-1-yl)methanone
2,2-Dimethyl-1-(4-(6-(pyrrolidin-1-yl)pyridazin-4-yl)piperazin-1-yl)propan-1-one
ethyl (2Z)-3-(4-fluorophenyl)pent-2-enoate
2-Propenoic acid,3-(7-ethyl-1h-indol-3-yl)-
N-(2-(5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)-1-methyl-1H-imidazole-4-sulfonamide
4-[(4-Chloro-benzyl)-(propane-1-sulfonyl)-amino]-benzoic acid ethyl ester
(4-(6-(Pyrrolidin-1-yl)pyridazin-4-yl)piperazin-1-yl)(thiophen-2-yl)methanone
4-[Tert-butoxycarbonyl-(4-chloro-benzyl)-amino]-benzoic acid ethyl ester

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.