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2 5-Dichlorobenzenethiol 98%

CAT: 0286-D13673-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0286-D13673-01Size:5 g
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CAS Number
5858-18-4
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00004831
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

2,5-Dichlorobenzenethiol
CAS Number5858-18-4
PubChem CID79965
IUPAC Name2,5-dichlorobenzenethiol
Molecular FormulaC6H4Cl2S
Molecular Weight179.07
XLogP3.5
Topological Polar Surface Area1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity97
SMILES
C1=CC(=C(C=C1Cl)S)Cl
InChI
InChI=1S/C6H4Cl2S/c7-4-1-2-5(8)6(9)3-4/h1-3,9H
InChIKey
QIULLHZMZMGGFH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,5-Dichlorobenzenethiol
CAS: 5858-18-4
CID: 79965
Formula: C6H4Cl2S
MW: 179.07
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight179.07
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass177.9410767
Monoisotopic Mass177.9410767
Topological Polar Surface Area1 Ų
Heavy Atom Count9
Formal Charge0
Complexity97.1
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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