| CAS Number | 706820-09-9 |
| Catalog Number | AG00FHS6(AGN-PC-0OGXBE) |
| Chemical Name | 2,5-Dibromo-4-methylbenzaldehyde |
| IUPAC Name | 2,5-dibromo-4-methylbenzaldehyde |
| InChI | InChI=1S/C8H6Br2O/c1-5-2-8(10)6(4-11)3-7(5)9/h2-4H,1H3 |
| InChI Key | ZRLRTUFATSTXBQ-UHFFFAOYSA-N |
| MDL Number | MFCD24114310 |
| Molecular Formula | C8H6Br2O |
| Molecular Weight | 277.9406 |
| SMILES | CC1=C(Br)C=C(C=O)C(Br)=C1 |
| Synonyms | 2,5-dibromo-4-methylbenzaldehyde,
706820-09-9,
AKOS020052377,
ZINC148240401,
Benzaldehyde, 2,5-dibromo-4-methyl,
Benzaldehyde, 2,5-dibromo-4-methyl-,
ACN-043191,
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| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.876g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.943g/mol |
| Monoisotopic Mass | 275.879g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H319
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Packing Group
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Precautionary statements
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P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number