5-Chloropyrimidine-2-carbonitrile - CAS 38275-56-8
Catalog: |
BB023609 |
Product Name: |
5-Chloropyrimidine-2-carbonitrile |
CAS: |
38275-56-8 |
Synonyms: |
5-chloro-2-pyrimidinecarbonitrile; 5-chloropyrimidine-2-carbonitrile |
IUPAC Name: | 5-chloropyrimidine-2-carbonitrile |
Description: | 5-Chloropyrimidine-2-carbonitrile (CAS# 38275-56-8) is a useful research chemical. |
Molecular Weight: | 139.54 |
Molecular Formula: | C5H2ClN3 |
Canonical SMILES: | C1=C(C=NC(=N1)C#N)Cl |
InChI: | InChI=1S/C5H2ClN3/c6-4-2-8-5(1-7)9-3-4/h2-3H |
InChI Key: | XCZYVEHAGNDPGY-UHFFFAOYSA-N |
Boiling Point: | 292 ℃ at 760 mmHg |
Density: | 1.43 g/cm3 |
MDL: | MFCD03001466 |
LogP: | 1.00168 |
GHS Hazard Statement: | H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] |
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-111072677-A | Organic compound and application thereof | 20191227 |
WO-2019169193-A1 | Compounds and compositions for treating conditions associated with apj receptor activity | 20180301 |
CN-112055713-A | Compounds and compositions for treating diseases associated with APJ receptor activity | 20180301 |
EP-3759095-A1 | Compounds and compositions for treating conditions associated with apj receptor activity | 20180301 |
US-2021053936-A1 | Compounds and compositions for treating conditions associated with apj receptor activity | 20180301 |
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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