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Butyryl Chloride

CAT: 1299-RG-A260411-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-A260411-01Size:10 mg
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CAS Number
141-75-3
Synonyms
Butyryl chloride
Molecular Formula
C4H7ClO
Molecular Weight
106.55
Product Name Synonym
Butyryl chloride

Chemical Information

Butyryl chloride

Butyryl chloride appears as a clear colorless liquid with a sharp odor. Slightly denser than water. Flash point near 20 °F. Severely irritates skin, eyes, and mucous membranes. Used to make other chemicals.

CAS Number141-75-3
PubChem CID8855
IUPAC Namebutanoyl chloride
Molecular FormulaC4H7ClO
Molecular Weight106.55
XLogP1.6
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count6
Formal Charge0
Complexity51
SMILES
CCCC(=O)Cl
InChI
InChI=1S/C4H7ClO/c1-2-3-4(5)6/h2-3H2,1H3
InChIKey
DVECBJCOGJRVPX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Butyryl chloride
CAS: 141-75-3
CID: 8855
Formula: C4H7ClO
MW: 106.55
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight106.55
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass106.0185425
Monoisotopic Mass106.0185425
Topological Polar Surface Area17.1 Ų
Heavy Atom Count6
Formal Charge0
Complexity51.5
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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