2-Chloropyrimidine-5-carbaldehyde - CAS 933702-55-7
Catalog: |
BB040870 |
Product Name: |
2-Chloropyrimidine-5-carbaldehyde |
CAS: |
933702-55-7 |
Synonyms: |
2-chloro-5-pyrimidinecarboxaldehyde; 2-chloropyrimidine-5-carbaldehyde |
IUPAC Name: | 2-chloropyrimidine-5-carbaldehyde |
Description: | 2-Chloropyrimidine-5-carbaldehyde (CAS# 933702-55-7) is a useful research chemical. |
Molecular Weight: | 142.54 |
Molecular Formula: | C5H3ClN2O |
Canonical SMILES: | C1=C(C=NC(=N1)Cl)C=O |
InChI: | InChI=1S/C5H3ClN2O/c6-5-7-1-4(3-9)2-8-5/h1-3H |
InChI Key: | LJYQVOPFBNMTKJ-UHFFFAOYSA-N |
Boiling Point: | 318.2 ℃ at 760 mmHg |
Density: | 1.432 g/cm3 |
Appearance: | Pale yellow - orange solid |
Storage: | Inert atmosphere, 2-8 ℃ |
MDL: | MFCD10696891 |
LogP: | 0.94250 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111892585-A | N-formamido pyrazoline derivative as P2X3 receptor antagonist and application thereof | 20200805 |
CN-113214240-A | N-formamido pyrazoline derivative as P2X3 receptor antagonist and application thereof | 20200805 |
CN-111393415-A | Heteroaromatic nitrile compound and application thereof | 20200430 |
CN-111393415-B | Heteroaromatic nitrile compound and application thereof | 20200430 |
WO-2021117846-A1 | Compound serving as pdgf receptor kinase inhibitor, and composition | 20191213 |
Complexity: | 101 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 141.9933904 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 141.9933904 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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