2-Chloro-7,8-dimethylquinoline-3-carbonitrile - CAS 917746-03-3
Catalog: |
BB040343 |
Product Name: |
2-Chloro-7,8-dimethylquinoline-3-carbonitrile |
CAS: |
917746-03-3 |
Synonyms: |
2-chloro-7,8-dimethylquinoline-3-carbonitrile |
IUPAC Name: | 2-chloro-7,8-dimethylquinoline-3-carbonitrile |
Description: | 2-Chloro-7,8-dimethylquinoline-3-carbonitrile (CAS# 917746-03-3) is a useful research chemical. |
Molecular Weight: | 216.67 |
Molecular Formula: | C12H9ClN2 |
Canonical SMILES: | CC1=C(C2=C(C=C1)C=C(C(=N2)Cl)C#N)C |
InChI: | InChI=1S/C12H9ClN2/c1-7-3-4-9-5-10(6-14)12(13)15-11(9)8(7)2/h3-5H,1-2H3 |
InChI Key: | GCDISHIYBYNBRY-UHFFFAOYSA-N |
Boiling Point: | 391.966 °C at 760 mmHg |
Density: | 1.273 g/cm3 |
MDL: | MFCD09035783 |
LogP: | 3.37668 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
EP-0120484-B1 | (1h-tetrazol-5-yl)tetrazolo (1,5-a)-quinolines and related compounds | 19830325 |
Complexity: | 283 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.045426 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.045426 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 36.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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