| CAS Number | 10531-42-7 |
| Catalog Number | AG007WQP(AGN-PC-0NIE7Q) |
| Chemical Name | 2-bromo-1-(5-methylthiophen-2-yl)ethan-1-one |
| IUPAC Name | 2-bromo-1-(5-methylthiophen-2-yl)ethanone |
| InChI | InChI=1S/C7H7BrOS/c1-5-2-3-7(10-5)6(9)4-8/h2-3H,4H2,1H3 |
| InChI Key | WIEZPKHDQRZMCI-UHFFFAOYSA-N |
| MDL Number | MFCD03425188 |
| Molecular Formula | C7H7BrOS |
| Molecular Weight | 219.0989 |
| SMILES | CC1SC(C(CBr)=O)=CC=1 |
| Synonyms | 2-Bromo-1-(5-methylthiophen-2-yl)ethanone,
10531-42-7,
2-bromo-1-(5-methylthien-2-yl)ethanone,
Ethanone, 2-bromo-1-(5-methyl-2-thienyl)-,
888722-57-4,
SCHEMBL6394534,
2-bromoacetyl-5-methylthiophene,
CTK0G5598,
WIEZPKHDQRZMCI-UHFFFAOYSA-N,
ZINC2576093,
AKOS009316696,
alpha-bromo-2-acetyl-5-methylthiophene,
QC-8482,
RP27173,
AJ-42470,
2-Bromo-1-(5-methyl-thiophen-2-yl)-ethanone,
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.94g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.096g/mol |
| Monoisotopic Mass | 217.94g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H302-H315-H319-H332-H335
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Packing Group
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\N
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Precautionary statements
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P280-P305+P351+P338-P310
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UN Code
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\N
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Certificate of Analysis
Lot Number