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2,4-Dichloro-5-methylphenol

CAT: 1266-JH63860Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1266-JH63860Size:1 Each
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CAS Number
1124-07-8
UN Code
UN 2810
Hazard Statement
Xi
Stability
Stable under normal temperatures and pressures.
Molecular Formula
C7H6Cl2O
Molecular Weight
177.02794
Product Name Synonym
2,4-dichloro-5-methyl-phenol
Physical Properties
Solid
Hazardous Class
6.1 (b)
Safety Statements
S26-S36
Density
1.382g/cm3
Flash Point
108.9oC
RIDADR
UN 2810
Melting Point
70-72oC

Chemical Information

4,6-Dichloro-m-cresol
CAS Number1124-07-8
PubChem CID70757
IUPAC Name2,4-dichloro-5-methylphenol
Molecular FormulaC7H6Cl2O
Molecular Weight177.02
XLogP3.2
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity118
SMILES
CC1=CC(=C(C=C1Cl)Cl)O
InChI
InChI=1S/C7H6Cl2O/c1-4-2-7(10)6(9)3-5(4)8/h2-3,10H,1H3
InChIKey
NDCNJVOXMCCKBP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,6-Dichloro-m-cresol
CAS: 1124-07-8
CID: 70757
Formula: C7H6Cl2O
MW: 177.02
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight177.02
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass175.9795702
Monoisotopic Mass175.9795702
Topological Polar Surface Area20.2 Ų
Heavy Atom Count10
Formal Charge0
Complexity118
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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