ChemicalBook--->CAS DataBase List--->16744-98-2

16744-98-2

16744-98-2 Structure

16744-98-2 Structure
IdentificationMore
[Name]

2-FLUOROPHENYL ISOCYANATE
[CAS]

16744-98-2
[Synonyms]

2-FLUOROPHENYL ISOCYANATE
ISOCYANIC ACID 2-FLUOROPHENYL ESTER
O-FLUOROPHENYL ISOCYANATE
1-Fluoro-2-isocyanatobenzene
Benzene, 1-fluoro-2-isocyanato-
Isocyanic acid o-fluorophenyl ester
2-Fluorophenyl isocyanate 97%
2-Fluorophenylisocyanate97%
2-Fluorophenyl isocyanate, 98+%
[EINECS(EC#)]

240-804-0
[Molecular Formula]

C7H4FNO
[MDL Number]

MFCD00001996
[Molecular Weight]

137.11
[MOL File]

16744-98-2.mol
Chemical PropertiesBack Directory
[Appearance]

Clear colorless to slightly brown liquid
[Boiling point ]

56-58 °C
[density ]

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

n20/D 1.5144(lit.)
[Fp ]

123 °F
[storage temp. ]

0-6°C
[form ]

Liquid
[color ]

Clear colorless to slightly brown
[Sensitive ]

Lachrymatory
[BRN ]

1210127
[InChI]

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

VZNCSZQPNIEEMN-UHFFFAOYSA-N
[SMILES]

Fc1ccccc1N=C=O
[CAS DataBase Reference]

16744-98-2(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)Health Hazard (GHS08)
GHS02,GHS07,GHS08
[Signal word ]

Danger
[Hazard statements ]

H226-H302+H312+H332-H315-H317-H319-H334-H335
[Precautionary statements ]

P210-P233-P280-P301+P312-P303+P361+P353-P305+P351+P338
[Hazard Codes ]

Xn,T
[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 ]

S16:Keep away from sources of ignition-No smoking .
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S27:Take off immediately all contaminated clothing .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

UN 3080 6.1/PG 2
[WGK Germany ]

3
[Hazard Note ]

Toxic/Lachrymatory
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29291000
[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-->2-Fluoroaniline
[Preparation Products]

3-(4-fluorophenyl)-1-isopropyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine- 5-carboxylic acid-->RSV604
Hazard InformationBack Directory
[Chemical Properties]

Clear colorless to slightly brown liquid
[Uses]

2-?Fluorophenyl isocyanate is a reagent used in the synthesis of wtRET and V804MRET inhibitors which may be used in the treatment of several neoplastic diseases and cancer treatments.
[General Description]

2-Fluorophenyl isocyanate is the main component of essential oil from Rhododendron thymifolium Maxim. Molecular geometry of 2-fluorophenyl isocyanate has been investigated by microwave spectroscopy and nuclear magnetic resonance spectroscopy.
Spectrum DetailBack Directory
[Spectrum Detail]

2-FLUOROPHENYL ISOCYANATE(16744-98-2)1HNMR
2-FLUOROPHENYL ISOCYANATE(16744-98-2)FT-IR
2-FLUOROPHENYL ISOCYANATE(16744-98-2)IR
2-FLUOROPHENYL ISOCYANATE(16744-98-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Fluorophenyl isocyanate, 97%(16744-98-2)
[Alfa Aesar]

2-Fluorophenyl isocyanate, 98%(16744-98-2)
[Sigma Aldrich]

16744-98-2(sigmaaldrich)
[TCI AMERICA]

2-Fluorophenyl Isocyanate,>97.0%(GC)(16744-98-2)
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