6-Bromo-1,3-dichloroisoquinoline - CAS 552331-05-2
Catalog: |
BB028959 |
Product Name: |
6-Bromo-1,3-dichloroisoquinoline |
CAS: |
552331-05-2 |
Synonyms: |
6-bromo-1,3-dichloroisoquinoline |
IUPAC Name: | 6-bromo-1,3-dichloroisoquinoline |
Description: | 6-Bromo-1,3-dichloroisoquinoline (CAS# 552331-05-2) is a useful research chemical. |
Molecular Weight: | 276.94 |
Molecular Formula: | C9H4BrCl2N |
Canonical SMILES: | C1=CC2=C(N=C(C=C2C=C1Br)Cl)Cl |
InChI: | InChI=1S/C9H4BrCl2N/c10-6-1-2-7-5(3-6)4-8(11)13-9(7)12/h1-4H |
InChI Key: | YRSSIZNHQQNESH-UHFFFAOYSA-N |
Boiling Point: | 383.379 °C at 760 mmHg |
Melting Point: | 124-128 °C |
Purity: | 96 % |
Density: | 1.766 g/cm3 |
MDL: | MFCD09258639 |
LogP: | 4.30410 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P273, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-108929270-A | A kind of synthesis of the disubstituted nitrogenous heterocyclic aminated compounds of pharmaceutical intermediate | 20180815 |
CN-108929270-B | Synthesis of drug intermediate disubstituted nitrogen heterocyclic ring-containing amine compound | 20180815 |
US-2015315198-A1 | Pyrazolopyridine pyrazolopyrimidine and related compounds | 20140505 |
US-9695166-B2 | Pyrazolopyridine pyrazolopyrimidine and related compounds | 20140505 |
WO-2015171527-A1 | Pyrazolopyridine pyrazolopyrimidine and related compounds | 20140505 |
Complexity: | 191 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 274.89042 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 274.89042 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.7 |
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Quinoline/Isoquinoline
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