4-Bromo-2,7,8-trimethylquinoline - CAS 1070879-61-6
Catalog: |
BB001976 |
Product Name: |
4-Bromo-2,7,8-trimethylquinoline |
CAS: |
1070879-61-6 |
Synonyms: |
4-bromo-2,7,8-trimethylquinoline |
IUPAC Name: | 4-bromo-2,7,8-trimethylquinoline |
Description: | 4-Bromo-2,7,8-trimethylquinoline (CAS# 1070879-61-6) is a useful research chemical. |
Molecular Weight: | 250.13 |
Molecular Formula: | C12H12BrN |
Canonical SMILES: | CC1=C(C2=C(C=C1)C(=CC(=N2)C)Br)C |
InChI: | InChI=1S/C12H12BrN/c1-7-4-5-10-11(13)6-8(2)14-12(10)9(7)3/h4-6H,1-3H3 |
InChI Key: | FDEFLDIBSLKLEN-UHFFFAOYSA-N |
Purity: | 95 % |
LogP: | 3.92250 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard] |
Precautionary Statement: | P264, P264+P265, P270, P273, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501 |
Signal Word: | Danger |
Complexity: | 207 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 249.01531 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 249.01531 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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