1,3,6-Trichloroisoquinoline - CAS 1053658-49-3
Catalog: |
BB001628 |
Product Name: |
1,3,6-Trichloroisoquinoline |
CAS: |
1053658-49-3 |
Synonyms: |
1,3,6-trichloroisoquinoline |
IUPAC Name: | 1,3,6-trichloroisoquinoline |
Description: | 1,3,6-Trichloroisoquinoline (CAS# 1053658-49-3) is a useful research chemical compound. |
Molecular Weight: | 232.49 |
Molecular Formula: | C9H4Cl3N |
Canonical SMILES: | C1=CC2=C(N=C(C=C2C=C1Cl)Cl)Cl |
InChI: | InChI=1S/C9H4Cl3N/c10-6-1-2-7-5(3-6)4-8(11)13-9(7)12/h1-4H |
InChI Key: | IQEHNPFLYOSKCB-UHFFFAOYSA-N |
Boiling Point: | 362.6 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.523 g/cm3 |
Appearance: | White to tan solid |
MDL: | MFCD09907620 |
LogP: | 4.19500 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]; H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Complexity: | 188 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 230.940932 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 230.940932 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.7 |
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Quinoline/Isoquinoline
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