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1,4-dibromobut-2-yne

CAT: 1266-JH213277Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1266-JH213277Size:1 Each
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CAS Number
2219-66-1
UN Code
UN 3283
Hazard Statement
Xn
HS Code
2903599000
Stability
Stable. Incompatible with strong oxidizing agents.
Molecular Formula
C4H4Br2
Molecular Weight
211.88
Product Name Synonym
1,4-dibromo-but-2-yne
Physical Properties
Colorless acicular crystal
Hazardous Class
3.1
Safety Statements
S2
Density
2.032g/cm3
Flash Point
91.5oC
RIDADR
UN 3283
Melting Point
-13oC (lit.)

Chemical Information

1,4-Dibromo-2-butyne
CAS Number2219-66-1
PubChem CID75205
IUPAC Name1,4-dibromobut-2-yne
Molecular FormulaC4H4Br2
Molecular Weight211.88
XLogP1.8
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count6
Formal Charge0
Complexity66
SMILES
C(C#CCBr)Br
InChI
InChI=1S/C4H4Br2/c5-3-1-2-4-6/h3-4H2
InChIKey
SAJMJXZROMTSEF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,4-Dibromo-2-butyne
CAS: 2219-66-1
CID: 75205
Formula: C4H4Br2
MW: 211.88
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight211.88
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass211.86593
Monoisotopic Mass209.86798
Topological Polar Surface Area0 Ų
Heavy Atom Count6
Formal Charge0
Complexity66
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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Alternative Products

CatalogName
CAA21966-011,4-Dibromobut-2-yne
FCA03057-012,4-Dibromobut-1-ene
OR1074749-01(Z) -1,4-Dibromobut-2-ene
RG-D090218-01(E) -1,4-Dibromobut-2-Ene
OR3193-01(2E) -1,4-Dibromobut-2-ene
HY-76206S(E) -1,4-Dibromobut-2-ene-d6
OR90021-011,4-Dimethoxybut-2-yne
OR5528-011,4-Dichlorobut-2-yne
OR1061481-011-Bromo-4,4-dimethylpent-2-yne
OR59420-01Diethyl but-2-yne-1,4-dioate

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