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1121585-29-2

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1121585-29-2 Structure

1121585-29-2 Structure
IdentificationBack Directory
[Name]

3-Chloro-2-fluorobenzenethiol
[CAS]

1121585-29-2
[Synonyms]

3-Chloro-2-fluorobenzenethiol
Benzenethiol, 3-chloro-2-fluoro-
[Molecular Formula]

C6H4ClFS
[MOL File]

1121585-29-2.mol
[Molecular Weight]

162.61
Chemical PropertiesBack Directory
[Boiling point ]

210℃
[density ]

1.375
[Fp ]

80℃
[storage temp. ]

2-8°C, stored under nitrogen
[pka]

5.22±0.48(Predicted)
[Appearance]

Colorless to light yellow Liquid
[Optical Rotation]

Consistent with structure
[InChI]

InChI=1S/C6H4ClFS/c7-4-2-1-3-5(9)6(4)8/h1-3,9H
[InChIKey]

WCHYILNTRVGWBN-UHFFFAOYSA-N
[SMILES]

C1(S)=CC=CC(Cl)=C1F
Spectrum DetailBack Directory
[Spectrum Detail]

3-Chloro-2-fluorobenzenethiol(1121585-29-2)1HNMR
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