3,4-Dichloropyridine - CAS 55934-00-4
Catalog: |
BB029220 |
Product Name: |
3,4-Dichloropyridine |
CAS: |
55934-00-4 |
Synonyms: |
3,4-dichloropyridine; 3,4-dichloropyridine |
IUPAC Name: | 3,4-dichloropyridine |
Description: | 3,4-Dichloropyridine (CAS# 55934-00-4) is a dichlorinated pyridine, a versatile building block in the preparation of 3,4-substituted pyridine compounds. |
Molecular Weight: | 147.99 |
Molecular Formula: | C5H3Cl2N |
Canonical SMILES: | C1=CN=CC(=C1Cl)Cl |
InChI: | InChI=1S/C5H3Cl2N/c6-4-1-2-8-3-5(4)7/h1-3H |
InChI Key: | ZMPYQKNNUHPTLT-UHFFFAOYSA-N |
Boiling Point: | 180.1 ℃ at 760 mmHg |
Density: | 1.388 g/cm3 |
Appearance: | White to yellow solid or liquid |
MDL: | MFCD01861989 |
LogP: | 2.38840 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
18044094 | 20060101 | Evaluation of PDE4 inhibition for COPD | International journal of chronic obstructive pulmonary disease |
Complexity: | 76.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 146.9642545 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 146.9642545 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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