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2,4,5-Trichlorothiophenol 97%

CAT: 0286-T20387-01Size: 1 gDry Ice: NoHazardous: Yes
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CAT#:0286-T20387-01Size:1 g
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CAS Number
3773-14-6
Synonyms
2,4,5-Trichlorobenzenethiol
UN Code
UN3335
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00014447
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Aviation Regulated Solid, N.O.S.
DOT Classification
Class 9
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; 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

2,4,5-Trichlorobenzenethiol
CAS Number3773-14-6
PubChem CID19597
IUPAC Name2,4,5-trichlorobenzenethiol
Molecular FormulaC6H3Cl3S
Molecular Weight213.5
XLogP4
Topological Polar Surface Area1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity120
SMILES
C1=C(C(=CC(=C1Cl)Cl)Cl)S
InChI
InChI=1S/C6H3Cl3S/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H
InChIKey
JARIALSGFXECCH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4,5-Trichlorobenzenethiol
CAS: 3773-14-6
CID: 19597
Formula: C6H3Cl3S
MW: 213.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight213.5
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass211.902104
Monoisotopic Mass211.902104
Topological Polar Surface Area1 Ų
Heavy Atom Count10
Formal Charge0
Complexity120
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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