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3-Bromo-1,2-propanediol

CAT: 0572-TRC-B686655-10GSize: 10 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-B686655-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
4704-77-2
Synonyms
(+/-)-Glycerol 1-Bromohydrin; 1-Bromo-1-deoxyglycerol; 1-Bromo-2,3-dihydroxy-propane; 1-Bromo-2,3-propanediol; 3-Bromo-1,2-dihydroxypropane; DL-Glycerol 1-Bromohydrin; Glycerol Bromohydrin; Glycerol α-Bromohydrin; α-Bromohydrin;
Hazard Statement
Causes severe skin burns and eye damage; UN number: UN1760; Packing Group: II
Purity
>95% (GC)
Smiles
OCC(O)CBr
Molecular Formula
C3H7BrO2
Molecular Weight
154.99
InChI
InChI=1S/C3H7BrO2/c4-1-3(6)2-5/h3,5-6H,1-2H2
Additionnal Information
IUPAC name: 3-bromopropane-1,2-diol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

3-Bromo-1,2-propanediol

3-bromopropane-1,2-diol is a bromohydrocarbon.

CAS Number4704-77-2
PubChem CID20827
IUPAC Name3-bromopropane-1,2-diol
Molecular FormulaC3H7BrO2
Molecular Weight154.99
XLogP-0.3
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count6
Formal Charge0
Complexity32
SMILES
C(C(CBr)O)O
InChI
InChI=1S/C3H7BrO2/c4-1-3(6)2-5/h3,5-6H,1-2H2
InChIKey
SIBFQOUHOCRXDL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Bromo-1,2-propanediol
CAS: 4704-77-2
CID: 20827
Formula: C3H7BrO2
MW: 154.99
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight154.99
XLogP3-0.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass153.96294
Monoisotopic Mass153.96294
Topological Polar Surface Area40.5 Ų
Heavy Atom Count6
Formal Charge0
Complexity32
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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