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5-Chloropent-1-yne

CAT: 0572-TRC-C375095-10GSize: 10 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-C375095-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
14267-92-6
Synonyms
(3-Chloropropyl)acetylene; 1-Chloro-4-pentyne; 4-Pentynyl Chloride; 5-Chloro-1-pentyne
Hazard Statement
Highly flammable liquid and vapour; UN number: UN1993; Packing Group: II
Smiles
ClCCCC#C
Molecular Formula
C5H7Cl
Molecular Weight
102.56
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

1-Pentyne, 5-chloro-
CAS Number14267-92-6
PubChem CID84308
IUPAC Name5-chloropent-1-yne
Molecular FormulaC5H7Cl
Molecular Weight102.56
XLogP1.8
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Heavy Atom Count6
Formal Charge0
Complexity57
SMILES
C#CCCCCl
InChI
InChI=1S/C5H7Cl/c1-2-3-4-5-6/h1H,3-5H2
InChIKey
UXFIKVWAAMKFQE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Pentyne, 5-chloro-
CAS: 14267-92-6
CID: 84308
Formula: C5H7Cl
MW: 102.56
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight102.56
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Exact Mass102.0236279
Monoisotopic Mass102.0236279
Topological Polar Surface Area0 Ų
Heavy Atom Count6
Formal Charge0
Complexity57.6
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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