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49647-20-3

49647-20-3 Structure

49647-20-3 Structure
IdentificationMore
[Name]

4-ACETYLPHENYL ISOCYANATE
[CAS]

49647-20-3
[Synonyms]

1-ACETYL-4-ISOCYANATOBENZENE
4-ACETYLPHENYL ISOCYANATE
P-ACETYLPHENYL ISOCYANATE
1-(4-Isocyanatophenyl)ethanone
Ethanone, 1-(4-isocyanatophenyl)-(9CI)
[Molecular Formula]

C9H7NO2
[MDL Number]

MFCD00013879
[Molecular Weight]

161.16
[MOL File]

49647-20-3.mol
Chemical PropertiesBack Directory
[Melting point ]

35-37 °C(lit.)
[Boiling point ]

139 °C14 mm Hg(lit.)
[density ]

1.2480 (rough estimate)
[refractive index ]

1.5050 (estimate)
[Fp ]

>230 °F
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[form ]

powder to lump to clear liquid
[color ]

White or Colorless to Light yellow
[Sensitive ]

Moisture Sensitive
[BRN ]

2803022
[InChI]

1S/C9H7NO2/c1-7(12)8-2-4-9(5-3-8)10-6-11/h2-5H,1H3
[InChIKey]

MOZSVHZOUDIZMF-UHFFFAOYSA-N
[SMILES]

CC(=O)c1ccc(cc1)N=C=O
[CAS DataBase Reference]

49647-20-3(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 .
[RIDADR ]

2206
[WGK Germany ]

3
[HS Code ]

2929.10.8090
[HazardClass ]

6.1
[PackingGroup ]

III
[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
Hazard InformationBack Directory
[Uses]

4-Acetylphenyl isocyanate may be used for the preparation of isocyanate-treated graphene oxide (iGO). It may be used for the following syntheses:
  • (4S,5R)-2-oxo-4-(4-phenyl-piperazin-1-ylmethyl)-oxazolidin-5-ylmethyl (4-acetyl-phenyl)-carbamate
  • (4S,5R)-2-oxo-4-(4-phenyl-piperazin-1-ylmethyl)-oxazolidin-5-ylmethyl (4-acetyl-phenyl)-carbamate
  • 2-oxo-4-(4-phenyl-piperazin-1-ylmethyl)-oxazolidin-5-ylmethyl phenyl acetate
  • 2-oxo-4-(4-phenyl-piperazin-1-ylmethyl)-oxazolidin-5-ylmethyl (4-acetyl-phenyl)-carbamate
[General Description]

4-Acetylphenyl isocyanate is a reactive isocyanate and had one carbamate unit for every 7.6 graphene carbons.
Spectrum DetailBack Directory
[Spectrum Detail]

4-ACETYLPHENYL ISOCYANATE(49647-20-3)1HNMR
4-ACETYLPHENYL ISOCYANATE(49647-20-3)IR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

4-Acetylphenyl isocyanate, 97%(49647-20-3)
[Sigma Aldrich]

49647-20-3(sigmaaldrich)
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