ChemicalBook--->CAS DataBase List--->327-78-6

327-78-6

327-78-6 Structure

327-78-6 Structure
IdentificationMore
[Name]

4-Chloro-3-(trifluoromethyl)phenyl isocyanate
[CAS]

327-78-6
[Synonyms]

4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL ISOCYANATE
3-TRIFLUOROMETHYL-4-CHLORO-PHENYL ISOCYANATE
4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL ISOCYANATE 98%
1-Chloro-4-isocyanato-2-(trifluoromethyl)benzene
4-Chloro-α,α,α-trifluoro-m-tolyl isocyanate
[EINECS(EC#)]

-0
[Molecular Formula]

C8H3ClF3NO
[MDL Number]

MFCD00013874
[Molecular Weight]

221.56
[MOL File]

327-78-6.mol
Chemical PropertiesBack Directory
[Appearance]

White solid or melt
[Melting point ]

40-42 °C(lit.)
[Boiling point ]

86-90 °C14 mm Hg(lit.)
[density ]

1.4720 (estimate)
[vapor pressure ]

91Pa at 20℃
[Fp ]

211 °F
[storage temp. ]

Inert atmosphere,2-8°C
[solubility ]

soluble in Chloroform, Methanol
[form ]

Low Melting Solid, Powder or Chunks
[color ]

White to yellow
[Sensitive ]

Moisture Sensitive
[BRN ]

522032
[InChI]

InChI=1S/C8H3ClF3NO/c9-7-2-1-5(13-4-14)3-6(7)8(10,11)12/h1-3H
[InChIKey]

AHFPRSSHNSGRCU-UHFFFAOYSA-N
[SMILES]

C1(Cl)=CC=C(N=C=O)C=C1C(F)(F)F
[CAS DataBase Reference]

327-78-6(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Exclamation Mark (GHS07)Health Hazard (GHS08)
GHS05,GHS07,GHS08
[Signal word ]

Danger
[Hazard statements ]

H302+H312+H332-H315-H317-H318-H334-H335
[Precautionary statements ]

P261-P264-P280-P301+P312-P302+P352+P312-P305+P351+P338
[Hazard Codes ]

Xn
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37:Irritating to eyes and respiratory system .
R36/37/38:Irritating to eyes, respiratory system and skin .
R42:May cause sensitization by inhalation.
R20/22:Harmful by inhalation and if swallowed .
[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 .
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) .
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
[RIDADR ]

UN 2206 6.1/PG 3
[WGK Germany ]

3
[Hazard Note ]

Harmful/Moisture Sensitive
[REACH Registrations]

Active
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29291090
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Dam. 1
Resp. Sens. 1
Skin Irrit. 2
Skin Sens. 1
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

White solid or melt
[Uses]

4-Chloro-3-(trifluoromethyl)phenyl isocyanate may be used in the synthesis of: N-(5′-deoxy-3′-O-tert-butyldimethylsilyl-β-D-thymidin-5′-yl)-N′-(4-chloro-3-trifluoromethylphenyl)-thiourea [1,3-bis(4-chloro-α,α,α-trifluoro-m-tolyl)urea] trans-1-(4-chloro-3-trifluoromethyl-phenyl)-3-(4-hydroxy-cyclohexyl)-urea
[General Description]

4-Chloro-3-(trifluoromethyl)phenyl isocyanate participates in an efficient methodology for the synthesis of 5-methyl-3-aryl-2-thiooxazolidin-4-ones.
[Flammability and Explosibility]

Nonflammable
Spectrum DetailBack Directory
[Spectrum Detail]

4-Chloro-3-(trifluoromethyl)phenyl isocyanate(327-78-6)1HNMR
4-Chloro-3-(trifluoromethyl)phenyl isocyanate(327-78-6)Raman
4-Chloro-3-(trifluoromethyl)phenyl isocyanate(327-78-6)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Chloro-3-(trifluoromethyl)phenyl isocyanate, 98%(327-78-6)
[Alfa Aesar]

4-Chloro-3-(trifluoromethyl)phenyl isocyanate, 97%(327-78-6)
[Sigma Aldrich]

327-78-6(sigmaaldrich)
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