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Phenethyl isocyanate

Basic information Safety Supplier Related

Phenethyl isocyanate Basic information

Product Name:
Phenethyl isocyanate
Synonyms:
  • Phenethyl isocyanate ,98%
  • Phenethyl isocyanate,99%
  • 2-Phenylethyl Isocyanate (2-Isocyanatoethyl)benzene Isocyanic Acid Phenethyl Ester Isocyanic Acid 2-Phenylethyl Ester
  • 2-Phenyltehyl isocyanate
  • (2-Isocyanatoethyl)benzene, 95+%
  • Phenethyl isocyanate 98%
  • Phenethyl isocyate
  • Β-Phenylethyl Isocyanate,Phenethyl Isocyanate
CAS:
1943-82-4
MF:
C9H9NO
MW:
147.17
EINECS:
413-080-0
Product Categories:
  • Aromatic Isocyanates
  • Isocyanates
  • Phenyls & Phenyl-Het
  • Phenyls & Phenyl-Het
  • Nitrogen Compounds
  • Organic Building Blocks
Mol File:
1943-82-4.mol
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Phenethyl isocyanate Chemical Properties

Boiling point:
210 °C(lit.)
Density 
1.063 g/mL at 25 °C(lit.)
refractive index 
n20/D 1.522(lit.)
Flash point:
212 °F
solubility 
Chloroform, Ethyl Acetate (Slightly)
form 
Liquid
Specific Gravity
1.063
color 
Colorless to yellow
Water Solubility 
decomposes
Stability:
Moisture Sensitive
InChI
InChI=1S/C9H9NO/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2
InChIKey
HACRKYQRZABURO-UHFFFAOYSA-N
SMILES
C1(CCN=C=O)=CC=CC=C1
CAS DataBase Reference
1943-82-4(CAS DataBase Reference)
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Safety Information

Hazard Codes 
T,C,N
Risk Statements 
22-23-35-42/43-51/53-25
Safety Statements 
23-26-36/37/39-43-45-61-43A
RIDADR 
UN 2206 6.1/PG 3
WGK Germany 
2
Hazard Note 
Toxic/Corrosive
HazardClass 
IRRITANT
PackingGroup 
III
HS Code 
29291090

MSDS

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Phenethyl isocyanate Usage And Synthesis

Chemical Properties

colorless to yellow liquid

Uses

Phenethyl Isocyanate functions as a mechanism-based inhibitor of both rat and human cytochrome P 450 enzymes. It is also a useful reagent in the synthesis of novel sulfonamides derivatives with antimicrobial activities.

Definition

ChEBI: An isocyanate having a 2-phenylethyl group attached to the nitrogen.

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