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16413-26-6 - 3-Cyanophenyl isocyanate, 97% - 3-Isocyanatobenzonitrile - L09432 - Alfa Aesar

L09432 3-Cyanophenyl isocyanate, 97%

CAS Number
16413-26-6
Synonyms
3-Isocyanatobenzonitrile

Size Price ($) Quantity Availability
1g 22.20
5g 73.80
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3-Cyanophenyl isocyanate, 97%

MDL
MFCD00013856

Chemical Properties

Formula
C8H4N2O
Formula Weight
144.13
Melting point
51-54°
Sensitivity
Moisture Sensitive

Applications

3-Cyanophenyl isocyanate serves as a starting reagent in the synthesis of R/S-4-(3-chlorophenylaminocarbonylamino)-3,4-dihydro-2,2-dimethyl-2H-1-benzopyran and 1-(3-cyanophenyl)-3-(2-methoxy-6-pentadecylbenzyl)urea.

Notes

Moisture sensitive. Incompatible with strong oxidizing agents and strong acids.

Literature References

Capacci-Daniel, C. A.; Mohammadi, C.; Urbelis, J. H.; Heyrana, K.; Khatri, N. M.; Solomos, M. A.; Swift, J. A. Structural Diversity in 1,3-Bis(m-cyanophenyl)urea. Cryst. Growth Des. 2015, 15 (5), 2373-2379.

Solomos, M. A.; Mohammadi, C.; Urbelis, J. H.; Koch, E. S.; Osborne, R.; Usala, C. C.; Swift, J. A. Predicting Cocrystallization Based on Heterodimer Energies: The Case of N,N'-Diphenylureas and Triphenylphosphine Oxide. Cryst. Growth Des. 2015, 15 (10), 5068-5074.

GHS Hazard and Precautionary Statements

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

Harmful if swallowed. Harmful in contact with skin. Harmful if inhaled. Causes skin irritation. Causes serious eye irritation. May cause respiratory irritation.

Precautionary Statements: P261-P280-P305+P351+P338-P304+P340-P405-P501a

Avoid breathing dust/fume/gas/mist/vapours/spray. Wear protective gloves/protective clothing/eye protection/face protection. IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. IF INHALED: Remove to fresh air and keep at rest in a position comfortable for breathing. Store locked up. Dispose of contents/container in accordance with local/regional/national/international regulations.

Other References

Beilstein
3089117
Hazard Class
6.1
Packing Group
III
Harmonized Tariff Code
2929.10
TSCA
No

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