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18349-11-6

18349-11-6 Structure

18349-11-6 Structure
IdentificationMore
[Name]

4-CHLORO-2-FLUORO-5-NITROTOLUENE
[CAS]

18349-11-6
[Synonyms]

BUTTPARK 146\15-31
4-CHLORO-2-FLUORO-5-NITROTOLUENE
4-Chloro-2-fluoro-5-nitrotoluene98%
4-Chloro-2-fluoro-5-nitrotoluene 98%
1-Chloro-2-nitro-4-methyl-5-fluorobenzene
1-chloro-5-fluoro-4-Methyl-2-nitrobenzene
Benzene, 1-chloro-5-fluoro-4-methyl-2-nitro-
4-Chloro-2-fluoro-5-nitrotoluene
[EINECS(EC#)]

242-225-9
[Molecular Formula]

C7H5ClFNO2
[MDL Number]

MFCD00134231
[Molecular Weight]

189.57
[MOL File]

18349-11-6.mol
Chemical PropertiesBack Directory
[Melting point ]

42-45 °C (lit.)
[Boiling point ]

264.3±35.0 °C(Predicted)
[density ]

1.417±0.06 g/cm3(Predicted)
[Fp ]

>230 °F
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

soluble in Toluene
[form ]

Crystalline Mass
[color ]

Yellow to light brown
[InChI]

1S/C7H5ClFNO2/c1-4-2-7(10(11)12)5(8)3-6(4)9/h2-3H,1H3
[InChIKey]

SJDPAVRCQNFVDM-UHFFFAOYSA-N
[SMILES]

Cc1cc(c(Cl)cc1F)[N+]([O-])=O
[CAS DataBase Reference]

18349-11-6(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

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 .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

29049090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

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

4-Chloro-2-fluoro-5-nitrotoluene may be used in the synthesis of two new C-11 labeled analogs of N,N-dimethyl-2-(2′-amino-4′-hydroxymethyl-phenylthio)benzylamine, which were further evaluated as serotonin transporter imaging agents.
Spectrum DetailBack Directory
[Spectrum Detail]

4-CHLORO-2-FLUORO-5-NITROTOLUENE(18349-11-6)1HNMR
4-CHLORO-2-FLUORO-5-NITROTOLUENE(18349-11-6)IR
4-CHLORO-2-FLUORO-5-NITROTOLUENE(18349-11-6)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

18349-11-6(sigmaaldrich)
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