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3-Chlorotoluene

CAT: 0572-TRC-C421620-50GSize: 50 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-C421620-50GSize:50 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
108-41-8
Hazard Statement
Flammable liquid and vapour; UN number: UN2238; Packing Group: III
Smiles
Cc1cccc(Cl)c1
Molecular Formula
C7 H7 Cl
Molecular Weight
126.58
InChI
InChI=1S/C7H7Cl/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
Additionnal Information
IUPAC name: 1-chloro-3-methylbenzene
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

3-Chlorotoluene

M-chlorotoluene is a colorless liquid. Specific gravity 1.072. Denser than water, thus sinks in water. Flash point less than 141 °F. Vapors irritating and narcotic in high concentrations. Used as solvents and as an intermediate for making other chemicals and dyes.

CAS Number108-41-8
PubChem CID7931
IUPAC Name1-chloro-3-methylbenzene
Molecular FormulaC7H7Cl
Molecular Weight126.58
XLogP3.3
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity70
SMILES
CC1=CC(=CC=C1)Cl
InChI
InChI=1S/C7H7Cl/c1-6-3-2-4-7(8)5-6/h2-5H,1H3
InChIKey
OSOUNOBYRMOXQQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Chlorotoluene
CAS: 108-41-8
CID: 7931
Formula: C7H7Cl
MW: 126.58
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight126.58
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass126.0236279
Monoisotopic Mass126.0236279
Topological Polar Surface Area0 Ų
Heavy Atom Count8
Formal Charge0
Complexity70.8
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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