4-Chloropyridine-3-carboxylic acid - CAS 10177-29-4
Catalog: |
BB000651 |
Product Name: |
4-Chloropyridine-3-carboxylic acid |
CAS: |
10177-29-4 |
Synonyms: |
4-chloropyridine-3-carboxylic acid |
IUPAC Name: | 4-chloropyridine-3-carboxylic acid |
Description: | 4-Chloropyridine-3-carboxylic acid (CAS# 10177-29-4) is a building block used in a synthesis of benzocanthinones via tributyltin hydride radical induced cyclization. It is also used in a synthesis of heterocyclic analogues of xanthone. |
Molecular Weight: | 157.55 |
Molecular Formula: | C6H4ClNO2 |
Canonical SMILES: | C1=CN=CC(=C1Cl)C(=O)O |
InChI: | InChI=1S/C6H4ClNO2/c7-5-1-2-8-3-4(5)6(9)10/h1-3H,(H,9,10) |
InChI Key: | IMRGVWZLCZERSQ-UHFFFAOYSA-N |
Boiling Point: | 301.9 °C at 760 mmHg |
Melting Point: | 139-143 °C |
Purity: | 98 % |
Density: | 1.47 g/cm3 |
Appearance: | White to tan solid |
Storage: | Keep Cold |
MDL: | MFCD00128860 |
LogP: | 1.43320 |
GHS Hazard Statement: | H302 (85.71%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113501783-A | Erianin heterocyclic derivative and preparation method and application thereof | 20210630 |
CN-113087659-A | DMAP-thiourea catalyst and preparation method thereof, and high molecular weight biodegradable polyester and preparation method thereof | 20200109 |
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WO-2021104780-A1 | Antimicrobial compositions comprising modified clay and copolymers | 20191128 |
WO-2021066958-A1 | Inhibitor of btk and mutants thereof | 20191005 |
Complexity: | 140 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 156.9930561 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 156.9930561 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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