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2-Chloro-1,3-propanediol

CAT: 1266-JH310694Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1266-JH310694Size:1 Each
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CAS Number
497-04-1
UN Code
UN 1989
Hazard Statement
F; Xi
Stability
Stable. Hygroscopic. Incompatible with strong oxidizing agents.
Molecular Formula
C3H7ClO2
Molecular Weight
110.54
Product Name Synonym
1,3-Propanediol, 2-chloro-
Physical Properties
Clear colorless to yellow liquid
Hazardous Class
3
Safety Statements
S16-S26-S36
Density
1.303g/cm3
Flash Point
104.1oC
RIDADR
UN 1989
Melting Point
258-268oC

Chemical Information

Glycerol beta-chlorohydrin

2-chloro-1,3-propanediol is a colorless liquid. (NTP, 1992)

CAS Number497-04-1
PubChem CID10337
IUPAC Name2-chloropropane-1,3-diol
Molecular FormulaC3H7ClO2
Molecular Weight110.54
XLogP-1
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count6
Formal Charge0
Complexity28
SMILES
C(C(CO)Cl)O
InChI
InChI=1S/C3H7ClO2/c4-3(1-5)2-6/h3,5-6H,1-2H2
InChIKey
DYPJJAAKPQKWTM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Glycerol beta-chlorohydrin
CAS: 497-04-1
CID: 10337
Formula: C3H7ClO2
MW: 110.54
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight110.54
XLogP3-1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass110.0134572
Monoisotopic Mass110.0134572
Topological Polar Surface Area40.5 Ų
Heavy Atom Count6
Formal Charge0
Complexity28
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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MBS6093512-012-Chloro-1,3-propanediol
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