| Identification | More | [Name]
4-METHOXYBENZYL ISOTHIOCYANATE | [CAS]
3694-57-3 | [Synonyms]
1-ISOTHIOCYANATOMETHYL-4-METHOXY-BENZENE
4-METHOXYBENZYL ISOTHIOCYANATE
P-METHOXYBENZYL ISOTHIOCYANATE
4-Methoxybenzylisothiocyanate, GC 96%
4-METHOXYBENZYL ISOTHIOCYANATE: 9%
4-METHOXYBENZYLISOTHIOCYANATE 96% | [EINECS(EC#)]
671-089-7 | [Molecular Formula]
C9H9NOS | [MDL Number]
MFCD00041117 | [Molecular Weight]
179.24 | [MOL File]
3694-57-3.mol |
| Chemical Properties | Back Directory | [Appearance]
clear yellow liquid | [Boiling point ]
170-175 °C (16 mmHg) | [density ]
1.0872
| [refractive index ]
1.591-1.598
| [Fp ]
132-133°C/0.7mm | [storage temp. ]
-20°C | [solubility ]
DMSO, Ethyl Acetate (Slightly) | [form ]
Crystalline Powder and/or Chunks | [color ]
White | [Specific Gravity]
1.18 | [Water Solubility ]
Hydrolyzes in water. | [Sensitive ]
Moisture Sensitive | [BRN ]
2089549 | [InChI]
InChI=1S/C9H9NOS/c1-11-9-4-2-8(3-5-9)6-10-7-12/h2-5H,6H2,1H3 | [InChIKey]
IMFQYAJJXFXVMM-UHFFFAOYSA-N | [SMILES]
C1(CN=C=S)C=CC(OC)=CC=1 | [CAS DataBase Reference]
3694-57-3(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [RIDADR ]
2810 | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29309099 |
| Hazard Information | Back Directory | [Chemical Properties]
clear yellow liquid | [Uses]
4-Methoxybenzyl isothiocyanate is used as pharmaceutical intermediates. | [Synthesis]
4-Methoxybenzyl isothiocyanate was prepared as follows: Take 300.0g of 4-methoxybenzylamine (2.19mol) and 309.2g of triethylamine (3.06mol) in a 5000mL three-necked round-bottomed flask, add 1000mL of ethyl acetate, and set it in an ice bath to c |
|
| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.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 |
|