ChemicalBook--->CAS DataBase List--->404-71-7

404-71-7

404-71-7 Structure

404-71-7 Structure
IdentificationMore
[Name]

3-FLUOROPHENYL ISOCYANATE
[CAS]

404-71-7
[Synonyms]

3-FLUOROPHENYL ISOCYANATE
ISOCYANIC ACID 3-FLUOROPHENYL ESTER
M-FLUOROPHENYL ISOCYANATE
1-Fluoro-3-isocyanatobenzene
Benzene, 1-fluoro-3-isocyanato-
3-Fluorophenyl isocyanate 97%
3-Fluorophenylisocyanate97%
3-FLUOROBENZENE ISOCYANATE
3-Isocyanatofluorobenzene
3-Fluoro-1-isocyanatobenzene
[EINECS(EC#)]

206-966-1
[Molecular Formula]

C7H4FNO
[MDL Number]

MFCD00002015
[Molecular Weight]

137.11
[MOL File]

404-71-7.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless liquid
[Boiling point ]

56-58°C 14mm
[density ]

1.201 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.514(lit.)
[Fp ]

107 °F
[storage temp. ]

0-6°C
[form ]

Liquid
[color ]

Clear colorless
[Sensitive ]

Moisture Sensitive/Lachrymatory
[BRN ]

774879
[InChI]

1S/C7H4FNO/c8-6-2-1-3-7(4-6)9-5-10/h1-4H
[InChIKey]

RIKWVZGZRYDACA-UHFFFAOYSA-N
[SMILES]

Fc1cccc(c1)N=C=O
[CAS DataBase Reference]

404-71-7(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn,T,C
[Risk Statements ]

R10:Flammable.
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 ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S27:Take off immediately all contaminated clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 3080 6.1/PG 2
[WGK Germany ]

3
[F ]

19
[Hazard Note ]

Toxic/Corrosive/Lachrymatory/Moisture Sensitive
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29291090
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

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

Triethylamine-->Benzene-->Triphosgene-->3-Fluoroaniline
Hazard InformationBack Directory
[Chemical Properties]

clear colorless liquid
[Uses]

3-Fluorophenyl isocyanate was used in the synthesis of linezolid. It was also used in the preparation of substituted 6-ureidopurines, 6(N2-3-fluorophenyl)ureidopurine.
[General Description]

3-Fluorophenyl isocyanate is an aryl fluorinated building block used in chemical synthesis.
Spectrum DetailBack Directory
[Spectrum Detail]

3-FLUOROPHENYL ISOCYANATE(404-71-7)1HNMR
3-FLUOROPHENYL ISOCYANATE(404-71-7)FT-IR
3-FLUOROPHENYL ISOCYANATE(404-71-7)IR
3-FLUOROPHENYL ISOCYANATE(404-71-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Fluorophenyl isocyanate, 97%(404-71-7)
[Alfa Aesar]

3-Fluorophenyl isocyanate, 97+%(404-71-7)
[Sigma Aldrich]

404-71-7(sigmaaldrich)
[TCI AMERICA]

3-Fluorophenyl Isocyanate,>95.0%(GC)(404-71-7)
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