5-Chloroisoquinoline - CAS 5430-45-5
Catalog: |
BB028594 |
Product Name: |
5-Chloroisoquinoline |
CAS: |
5430-45-5 |
Synonyms: |
5-chloroisoquinoline |
IUPAC Name: | 5-chloroisoquinoline |
Description: | 5-Chloroisoquinoline (CAS# 5430-45-5) is a compound useful in organic synthesis. |
Molecular Weight: | 163.60 |
Molecular Formula: | C9H6ClN |
Canonical SMILES: | C1=CC2=C(C=CN=C2)C(=C1)Cl |
InChI: | InChI=1S/C9H6ClN/c10-9-3-1-2-7-6-11-5-4-8(7)9/h1-6H |
InChI Key: | PJHSMEMFNSINJE-UHFFFAOYSA-N |
Boiling Point: | 289.5 °C at 760 mmHg |
Melting Point: | 72-73 °C |
Purity: | 95 % |
Density: | 1.27 g/cm3 |
Appearance: | White solid |
MDL: | MFCD02683295 |
LogP: | 2.88820 |
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 |
US-2021261540-A1 | Inhibitors of sarm1 | 20180607 |
CN-108640807-B | Preparation method of formylated heterocyclic derivative | 20180425 |
CN-105985290-B | Cross coupling method of ether compound and isoquinoline derivative | 20150216 |
KR-101681954-B1 | Boron-Catalyzed Silylative Reduction of N-Heteroaromatics | 20141111 |
KR-20160056151-A | Boron-Catalyzed Silylative Reduction of N-Heteroaromatics | 20141111 |
Complexity: | 138 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.0188769 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.0188769 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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