2-Chloro-5-pyrimidinecarbonitrile - CAS 1753-50-0
Catalog: |
BB013128 |
Product Name: |
2-Chloro-5-pyrimidinecarbonitrile |
CAS: |
1753-50-0 |
Synonyms: |
2-chloro-5-pyrimidinecarbonitrile; 2-chloropyrimidine-5-carbonitrile |
IUPAC Name: | 2-chloropyrimidine-5-carbonitrile |
Description: | 2-Chloro-5-pyrimidinecarbonitrile (CAS# 1753-50-0) is a useful research chemical. |
Molecular Weight: | 139.54 |
Molecular Formula: | C5H2ClN3 |
Canonical SMILES: | C1=C(C=NC(=N1)Cl)C#N |
InChI: | InChI=1S/C5H2ClN3/c6-5-8-2-4(1-7)3-9-5/h2-3H |
InChI Key: | FXQSUQZXESNFNH-UHFFFAOYSA-N |
Boiling Point: | 331.3 °C at 760 mmHg |
Density: | 1.43 g/cm3 |
Appearance: | Solid |
MDL: | MFCD10697145 |
LogP: | 1.00168 |
GHS Hazard Statement: | H302 (98.51%): 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 |
WO-2021133957-A1 | Benzimidazole compounds as hdac6 inhibitors | 20191227 |
CN-110845426-A | Preparation method of 2-chloro-5-cyanopyrimidine compound | 20191129 |
US-2021171543-A1 | Mcl1 inhibitors | 20191112 |
WO-2021096860-A1 | Mcl1 inhibitors | 20191112 |
CN-112778183-A | Nitrogen-containing ring derivative regulator, preparation method and application thereof | 20191105 |
Complexity: | 130 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 138.9937248 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 138.9937248 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 49.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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