2-Methyl-4,6,7-trichloroquinoline - CAS 75896-70-7
Catalog: |
BB035434 |
Product Name: |
2-Methyl-4,6,7-trichloroquinoline |
CAS: |
75896-70-7 |
Synonyms: |
4,6,7-trichloro-2-methylquinoline |
IUPAC Name: | 4,6,7-trichloro-2-methylquinoline |
Description: | 2-Methyl-4,6,7-trichloroquinoline (CAS# 75896-70-7) is a useful reagent in the preparation of the analogs of echinorine. |
Molecular Weight: | 246.52 |
Molecular Formula: | C10H6Cl3N |
Canonical SMILES: | CC1=NC2=CC(=C(C=C2C(=C1)Cl)Cl)Cl |
InChI: | InChI=1S/C10H6Cl3N/c1-5-2-7(11)6-3-8(12)9(13)4-10(6)14-5/h2-4H,1H3 |
InChI Key: | GIUJOEVTMZWXCU-UHFFFAOYSA-N |
Boiling Point: | 326.5 °C at 760 mmHg |
Density: | 1.459 g/cm3 |
LogP: | 4.50340 |
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: | 212 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.956582 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.956582 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.5 |
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Related Functional Groups
Quinoline/Isoquinoline
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