| CAS Number | 569672-28-2 |
| Catalog Number | AG00EFDW(AGN-PC-00KBVY) |
| Chemical Name | 2-Bromo-5-ethynylpyridine |
| IUPAC Name | 2-bromo-5-ethynylpyridine |
| InChI | InChI=1S/C7H4BrN/c1-2-6-3-4-7(8)9-5-6/h1,3-5H |
| InChI Key | WRORYOXBXUUDJL-UHFFFAOYSA-N |
| MDL Number | MFCD13189724 |
| Molecular Formula | C7H4BrN |
| Molecular Weight | 182.0174 |
| SMILES | C#CC1=CN=C(C=C1)Br |
| Synonyms | 2-BROMO-5-ETHYNYLPYRIDINE,
569672-28-2,
MFCD13189724,
A1-02541,
2-Bromo-5-ethynyl-pyridine,
SCHEMBL5700541,
DTXSID00514359,
ZINC39365251,
AKOS017342832,
AB68991,
FCH1182065,
PYRIDINE, 2-BROMO-5-ETHYNYL-,
AS-38834,
AB0078499,
AX8253913,
CS-0059696,
FT-0696655,
AZ0001-0577,
X-2328,
ACN-025774,
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| Complexity | 135 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.953g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.02g/mol |
| Monoisotopic Mass | 180.953g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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Hazard statements
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H302-H315-H320-H335
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Packing Group
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Precautionary statements
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P261-P280-P301+P312-P302+P352-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number