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2-Methylbutyl Chloroformate

CAT: 0572-TRC-M294760-5GSize: 5 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-M294760-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
20412-39-9
Synonyms
2-Methyl-1-butanol Chloroformate; 2-Methylbutyl Ester Carbonochloridic Acid;
Hazard Statement
Flammable liquid and vapour; UN number: UN1993; Packing Group: II
Smiles
O=C(Cl)OCC(C)CC
Molecular Formula
C6H11ClO2
Molecular Weight
150.6
InChI
InChI=1S/C6H11ClO2/c1-3-5(2)4-9-6(7)8/h5H,3-4H2,1-2H3
Additionnal Information
IUPAC name: 2-methylbutyl carbonochloridate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2-Methylbutyl chloroformate
CAS Number20412-39-9
PubChem CID13747576
IUPAC Name2-methylbutyl carbonochloridate
Molecular FormulaC6H11ClO2
Molecular Weight150.60
XLogP2.9
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count9
Formal Charge0
Complexity93
SMILES
CCC(C)COC(=O)Cl
InChI
InChI=1S/C6H11ClO2/c1-3-5(2)4-9-6(7)8/h5H,3-4H2,1-2H3
InChIKey
MQNLOOJFAVAAKD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methylbutyl chloroformate
CAS: 20412-39-9
CID: 13747576
Formula: C6H11ClO2
MW: 150.60
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight150.60
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass150.0447573
Monoisotopic Mass150.0447573
Topological Polar Surface Area26.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity93.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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