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2-Chloro-4-fluorothiophenol

CAT: 0286-C12750Size: 1 gDry Ice: NoHazardous: No
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CAT#:0286-C12750Size:1 g
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CAS Number
175277-99-3
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00052936
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled.
Precautions
P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

2-Chloro-4-fluorothiophenol
CAS Number175277-99-3
PubChem CID519446
IUPAC Name2-chloro-4-fluorobenzenethiol
Molecular FormulaC6H4ClFS
Molecular Weight162.61
XLogP2.8
Topological Polar Surface Area1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity99
SMILES
C1=CC(=C(C=C1F)Cl)S
InChI
InChI=1S/C6H4ClFS/c7-5-3-4(8)1-2-6(5)9/h1-3,9H
InChIKey
KUAPPJSILOMQPC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloro-4-fluorothiophenol
CAS: 175277-99-3
CID: 519446
Formula: C6H4ClFS
MW: 162.61
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight162.61
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass161.9706272
Monoisotopic Mass161.9706272
Topological Polar Surface Area1 Ų
Heavy Atom Count9
Formal Charge0
Complexity99.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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