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Valeryl chloride(CAS No. 638-29-9)

Valeryl chloride C5H9ClO (cas 638-29-9) Molecular Structure

638-29-9 Structure

Identification and Related Records

【Name】
Valeryl chloride
【Iupac name】
pentanoyl chloride
【CAS Registry number】
638-29-9
【Synonyms】
Valeroyl chloride
Pentanoyl chloride
n-Valeryl chloride
【EINECS(EC#)】
211-330-1
【Molecular Formula】
C5H9ClO (Products with the same molecular formula)
【Molecular Weight】
120.58
【Inchi】
InChI=1/C5H9ClO/c1-2-3-4-5(6)7/h2-4H2,1H3
【Canonical SMILES】
CCCCC(=O)Cl
【MOL File】
638-29-9.mol

Chemical and Physical Properties

【Appearance】
Clear to slightly yellow liquid
【Density】
1.01
【Melting Point】
-90 C
【Boiling Point】
125-127℃
【Refractive Index】
1.419-1.421
【Flash Point】
23℃
【Water】
decomposes
【Solubilities】
Decomposes
【Stability】
Stable under normal temperatures and pressures.
【HS Code】
29159080
【Storage temp】
Flammables area
【Computed Properties】
Molecular Weight:120.57736 [g/mol]
Molecular Formula:C5H9ClO
XLogP3:2.4
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:3
Exact Mass:120.034193
MonoIsotopic Mass:120.034193
Topological Polar Surface Area:17.1
Heavy Atom Count:7
Formal Charge:0
Complexity:61.1
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Hydrophobe Count:1
Effective Rotor Count:3
Conformer Sampling RMSD:0.4
CID Conformer Count:38

Safety and Handling

【Hazard Codes】
C:Corrosive;
【Risk Statements】
R10;R20;R34
【Safety Statements 】
S26;S36/37/39;S45
【HazardClass】
8
【PackingGroup 】
II
【Sensitive】
Moisture Sensitive
【Transport】
UN 2502

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