ChemicalBook--->CAS DataBase List--->16413-26-6

16413-26-6

16413-26-6 Structure

16413-26-6 Structure
IdentificationMore
[Name]

3-Cyanophenyl isocyanate
[CAS]

16413-26-6
[Synonyms]

3-CYANOPHENYL ISOCYANATE
3-ISOCYANATO BENZONITRILE
M-CYANOPHENYL ISOCYANATE
3-Cyanophenyl
3-Cyanophenylisocyanate 97%
[Molecular Formula]

C8H4N2O
[MDL Number]

MFCD00013856
[Molecular Weight]

144.13
[MOL File]

16413-26-6.mol
Chemical PropertiesBack Directory
[Appearance]

Off-white to slightly yellow low melting solid
[Melting point ]

51-54 °C(lit.)
[Boiling point ]

262.72°C (rough estimate)
[density ]

1.2851 (rough estimate)
[refractive index ]

1.4900 (estimate)
[form ]

Low Melting Solid
[color ]

Off-white to slightly yellow
[Sensitive ]

Moisture Sensitive
[BRN ]

3089117
[InChI]

1S/C8H4N2O/c9-5-7-2-1-3-8(4-7)10-6-11/h1-4H
[InChIKey]

NZHPVPMRNASEQK-UHFFFAOYSA-N
[SMILES]

O=C=Nc1cccc(c1)C#N
[CAS DataBase Reference]

16413-26-6(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S7:Keep container tightly closed .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S27:Take off immediately all contaminated clothing .
S37/39:Wear suitable gloves and eye/face protection .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

2206
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

6.1
[PackingGroup ]

II
[HS Code ]

29291000
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Resp. Sens. 1
Skin Irrit. 2
Skin Sens. 1
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Toluene-->Triethylamine-->Diphenylphosphoryl azide-->3-Cyanobenzoic acid
[Preparation Products]

Urea, N-(3-cyanophenyl)--->tert-Butyl 4-[3-(3-cyanophenyl)ureido]piperidine-1-carboxylate
Hazard InformationBack Directory
[Chemical Properties]

Off-white to slightly yellow low melting solid
[Uses]

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.
Spectrum DetailBack Directory
[Spectrum Detail]

3-Cyanophenyl isocyanate(16413-26-6)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Cyanophenyl isocyanate, 97%(16413-26-6)
[Alfa Aesar]

3-Cyanophenyl isocyanate, 97%(16413-26-6)
[Sigma Aldrich]

16413-26-6(sigmaaldrich)
16413-26-6 suppliers list
Company Name: J & K SCIENTIFIC LTD.  
Telephone: 18210857532 18210857532
Website: https://www.jkchemical.com
Company Name: Meryer (Shanghai) Chemical Technology Co., Ltd.  
Telephone: 4006356688 18621169109
Website: www.x-labseek.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
Company Name: Wuhan Chemwish Technology Co., Ltd  
Telephone: 86-027-67849912
Website: www.chemwish.com
Company Name: Capot Chemical Co., Ltd  
Telephone: +86 (0) 571 85 58 67 18
Website: www.capotchem.com
Company Name: Adamas Reagent, Ltd.  
Telephone: 4006009262 13023226327
Website: http://www.tansoole.com
Company Name: Shanghai Hanhong Scientific Co.,Ltd.  
Telephone: 021-54306202 13764082696
Website: https://www.hanhongsci.com
Company Name: Thermo Fisher Scientific  
Telephone: 800-810-5118
Website: www.thermo.com.cn
Company Name: Beijing innoChem Science & Technology Co.,Ltd.  
Telephone: 400-810-7969 010-59572699
Website: www.inno-chem.com.cn
Company Name: Shanghai Song Yuan Chemical Technology Co., Ltd.  
Telephone: 010-1234567 18521000990
Website: www.chemicalbook.com/ShowSupplierProductsList16435/0_EN.htm
Company Name: Sigma-Aldrich  
Telephone: 021-61415566 800-8193336
Website: https://www.sigmaaldrich.cn
Company Name: Chengdu Research Accelerators Technology Co., Ltd.  
Telephone: 028-64353063
Website: www.chemicalbook.com/ShowSupplierProductsList17155/0_EN.htm
Company Name: Henan CoreyChem Co., Ltd  
Telephone: 0371-86658258
Website: www.coreychem.com
Company Name: Shanghai YuanYe Biotechnology Co., Ltd.  
Telephone: 18916372613
Website: www.shyuanye.com
Company Name: parabiochem  
Telephone: 025-83453382-8005
Website: www.parabiochem.cn
Company Name: Amadis Chemical Company Limited  
Telephone: 571-89925085
Website: http://www.amadischem.com
Company Name: Capot Chemical Co.,Ltd.  
Telephone: +86-(0)57185586718 +86-13336195806
Website: www.capot.com/
Tags:16413-26-6 Related Product Information
110-78-1 3634-83-1 103-72-0 122-79-2 1873-29-6 139057-86-6 19752-09-1 128255-31-2 190774-47-1 59377-20-7 190774-52-8 190774-50-6 88112-75-8 50529-33-4 20392-34-1 1591-99-7 1632-84-4 51163-28-1