4-Bromo-2,6-dimethylbenzaldehyde - CAS 5769-33-5
Catalog: |
BB071983 |
Product Name: |
4-Bromo-2,6-dimethylbenzaldehyde |
CAS: |
5769-33-5 |
Synonyms: |
4-BROMO-2,6-DIMETHYLBENZALDEHYDE; 2,6-Dimethyl-4-bromobenzaldehyde; Benzaldehyde, 4-bromo-2,6-dimethyl-; 4-bromo-2,6-dimethyl-benzaldehyde; 4-bromo-2,6-dimethylbenz-aldehyde |
IUPAC Name: | 4-bromo-2,6-dimethylbenzaldehyde |
Description: | 4-Bromo-2,6-dimethylbenzaldehyde |
Molecular Weight: | 213.07 |
Molecular Formula: | C9H9BrO |
Canonical SMILES: | CC1=CC(=CC(=C1C=O)C)Br |
InChI: | InChI=1S/C9H9BrO/c1-6-3-8(10)4-7(2)9(6)5-11/h3-5H,1-2H3 |
InChI Key: | JFRPWJDOGGLZFS-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 135 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.98368 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.98368 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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