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141106-52-7

141106-52-7 Structure

141106-52-7 Structure
IdentificationMore
[Name]

2,4-DIFLUOROPHENYL ISOTHIOCYANATE
[CAS]

141106-52-7
[Synonyms]

2,4-DIFLUORO-1-ISOTHIOCYANATO-BENZENE
2,4-DIFLUOROPHENYL ISOTHIOCYANATE
Benzene, 2,4-difluoro-1-isothiocyanato-(9CI)
2,4-Difluoro-1-isothiocyanato-benzen
isothiocyanic acid 2,4-difluorophenyl ester
2,4-Difluorophenyl isothiocyanate 97%
2,4-Difluorophenylisothiocyanate97%
[EINECS(EC#)]

624-035-1
[Molecular Formula]

C7H3F2NS
[MDL Number]

MFCD00041044
[Molecular Weight]

171.17
[MOL File]

141106-52-7.mol
Chemical PropertiesBack Directory
[Boiling point ]

46-48 °C/0.5 mmHg (lit.)
[density ]

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

n20/D 1.598(lit.)
[Fp ]

199 °F
[storage temp. ]

RT, stored under nitrogen
[form ]

clear liquid
[color ]

Colorless to Light orange to Yellow
[Specific Gravity]

1.349
[Sensitive ]

Moisture Sensitive
[BRN ]

6919744
[InChI]

1S/C7H3F2NS/c8-5-1-2-7(10-4-11)6(9)3-5/h1-3H
[InChIKey]

ABGGPKIFVAIRGU-UHFFFAOYSA-N
[SMILES]

Fc1ccc(N=C=S)c(F)c1
[CAS DataBase Reference]

141106-52-7(CAS DataBase Reference)
[NIST Chemistry Reference]

2,4-Difluorophenyl isothiocyanate(141106-52-7)
Safety DataBack Directory
[Hazard Codes ]

Xi,T
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

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 .
S36:Wear suitable protective clothing .
[RIDADR ]

2810
[WGK Germany ]

3
[Hazard Note ]

Toxic
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29309090
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

Pink to red liquid
[Uses]

2,4-Difluorophenyl isothiocyanate may be used in the synthesis of the following 2-(4-(4-X-phenylsulfonyl)benzoyl)-N-(2,4-difluorophenyl)hydrazinecarbothioamides:
  • N-(2,4-difluorophenyl)-2-(4-(phenylsulfonyl)benzoyl)hydrazinecarbothioamide
  • 2-(4-(4-chlorophenylsulfonyl)benzoyl)-N-(2,4-difluorophenyl)hydrazinecarbothioamide
  • 2-(4-(4-bromophenylsulfonyl)benzoyl)-N-(2,4-difluorophenyl)hydrazinecarbothioamide
[General Description]

2,4-Difluorophenyl isothiocyanate is a fluorinated building block. Its enthalpy of vaporization at boiling point (490.15K) has been reported to be 42.939kjoule/mol.
Spectrum DetailBack Directory
[Spectrum Detail]

2,4-DIFLUOROPHENYL ISOTHIOCYANATE(141106-52-7)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2,4-difluorophenyl isothiocyanate, 97%(141106-52-7)
[Alfa Aesar]

2,4-Difluorophenyl isothiocyanate, 96%(141106-52-7)
[Sigma Aldrich]

141106-52-7(sigmaaldrich)
[TCI AMERICA]

2,4-Difluorophenyl Isothiocyanate,>98.0%(GC)(141106-52-7)
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