Benzyl isocyanate
- CAS No.
- 3173-56-6
- Chemical Name:
- Benzyl isocyanate
- Synonyms
- (Isocyanatomethyl)benzene;1-(isocyanatomethyl)benzene;Benzyl isocyate;BENZYL ISOCYANATE;BenzylIsocyanate>Benzylisocyanate,98%;Benzyl isocyanate 98%;Benzyl isocyanate, 99+%;Isocyanatomethyl-benzene;(isocyanatomethyl)-benzen
- CBNumber:
- CB1714526
- Molecular Formula:
- C8H7NO
- Molecular Weight:
- 133.15
- MDL Number:
- MFCD00009701
- MOL File:
- 3173-56-6.mol
- MSDS File:
- SDS
| Melting point | 259-261 °C(Solv: acetic acid (64-19-7)) |
|---|---|
| Boiling point | 101-104 °C/33 mmHg (lit.) |
| Density | 1.078 g/mL at 25 °C (lit.) |
| refractive index |
n |
| Flash point | 113 °F |
| storage temp. | Inert atmosphere,2-8°C |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| form | Liquid |
| color | Clear colorless to faintly yellow |
| Water Solubility | It hydrolyzes with water. |
| Sensitive | Moisture Sensitive |
| BRN | 636508 |
| InChI | 1S/C8H7NO/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2 |
| InChIKey | YDNLNVZZTACNJX-UHFFFAOYSA-N |
| SMILES | O=C=NCc1ccccc1 |
| CAS DataBase Reference | 3173-56-6(CAS DataBase Reference) |
| FDA UNII | 8I2LI357GQ |
| NIST Chemistry Reference | Benzyl isocyanate(3173-56-6) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |    GHS02,GHS07,GHS08 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Danger | |||||||||
| Hazard statements | H226-H315-H317-H319-H334-H335 | |||||||||
| Precautionary statements | P210-P233-P240-P280-P303+P361+P353-P305+P351+P338 | |||||||||
| PPE | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter | |||||||||
| Hazard Codes | Xn,T | |||||||||
| Risk Statements | 10-36/37/38-42/43-23/24/25 | |||||||||
| Safety Statements | 23-26-36/37-36/37/39-16 | |||||||||
| RIDADR | UN 3080 6.1/PG 2 | |||||||||
| WGK Germany | 3 | |||||||||
| F | 10-21 | |||||||||
| HazardClass | 6.1 | |||||||||
| PackingGroup | II | |||||||||
| HS Code | 29291090 | |||||||||
| Storage Class | 3 - Flammable liquids | |||||||||
| Hazard Classifications | Flam. Liq. 3 | |||||||||
| NFPA 704 |
|
Benzyl isocyanate price More Price(43)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 227269 | Benzyl isocyanate 99% | 3173-56-6 | 5g | $106 | 2026-04-30 | Buy |
| Sigma-Aldrich | 227269 | Benzyl isocyanate 99% | 3173-56-6 | 25g | $171 | 2026-04-30 | Buy |
| TCI Chemical | I0426 | Benzyl Isocyanate >99.0%(GC) | 3173-56-6 | 5g | $50 | 2026-04-30 | Buy |
| TCI Chemical | I0426 | Benzyl Isocyanate >99.0%(GC) | 3173-56-6 | 25g | $146 | 2026-04-30 | Buy |
| Usbiological | 261572 | Benzyl isocyanate Asreported | 3173-56-6 | 25g | $396 | 2026-06-03 | Buy |
Benzyl isocyanate Chemical Properties, Uses, Production
Chemical Properties
CLEAR COLOURLESS TO FAINTLY YELLOW LIQUID
Occurrence
benzyl isocyanate is a natural product found in Simicratea welwitschii with data available.
Uses
Benzyl isocyanate, is used as a protected ammonia equivalent in the stereo selective ring-opening of chiral 2,3-epoxy alcohols (from Sharpless asymmetric epoxidation). The key step in the sequence involves intramolecular cyclization of the carbamate intermediate. It is also used in a multicomponent, stereospecific synthesis of 1,3-oxazinane-2,4-diones employing an Al-salph complex.
Uses
Benzyl isocyanate was used to investigate the kinetics of isocyanate derivatization reaction in a continuous flow glass microfluidics chip. It was also used in a multicomponent, stereospecific synthesis of 1,3-oxazinane-2,4-diones employing an Al-salph complex (674699).
General Description
Benzyl isocyanate inhibits the formation of benzo[a]pyrene (BP)-DNA adduct and posses chemopreventive properties.
Synthesis
The conversion of benzyl azide to benzyl isocyanate (Scheme 1) was selected as the model reaction and it was performed both under conventional conditions and under MW irradiation. Various solvents were compared at a number of temperatures thanks to the versatility of the SynthWave reactor, which provides multiple-sample racks. Experiments were performed at 90, 70 and 50 °C at 14.5 bar of CO2 pressure. 
Scheme 1: Synthesis of benzyl isocyanate.
One-pot sequential synthesis of isocyanates and urea derivatives via a microwave-assisted Staudinger–aza-Wittig reaction
Benzyl isocyanate Preparation Products And Raw materials
Raw materials
Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| J & K SCIENTIFIC LTD. | 18210857532 18210857532 | jkinfo@jkchemical.com | China | 96815 | 76 |
| Meryer (Shanghai) Chemical Technology Co., Ltd. | 4006356688 18621169109 | market03@meryer.com | China | 40202 | 62 |
| Alfa Aesar | 400-6106006 | saleschina@alfa-asia.com | China | 30103 | 84 |
| TCI (Shanghai) Development Co., Ltd. | 021-67121386 | Sales-CN@TCIchemicals.com | China | 24512 | 81 |
| Energy Chemical | 400-0056266 | sales8178@energy-chemical.com | China | 44850 | 61 |
| Wuhan Chemwish Technology Co., Ltd | 86-027-67849912 | sales@chemwish.com | China | 35884 | 56 |
| Beijing Ouhe Technology Co., Ltd | 13552068683 13522913783 | 2355560935@qq.com | China | 11777 | 60 |
| Jia Xing Isenchem Co.,Ltd | 0573-85285100 18627885956 | isenchem@163.com | China | 9389 | 66 |
| Accela ChemBio Co.,Ltd. | 021-50795510 4000665055 | marketing@accelachem.com | China | 10972 | 64 |
| Nanjing Chemlin Chemical Co., Ltd | 025-83697070 13770331960 | info@chemlin.com.cn | China | 16305 | 64 |
View Latest Price from Benzyl isocyanate manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2019-07-06 | Benzyl isocyanate
3173-56-6
|
$1.00 | 1kg | 99% | Career Henan Chemical Co |
-
- Benzyl isocyanate
3173-56-6
- $1.00
- 99%
- Career Henan Chemical Co
