1-(2-Chloroethyl)-1H-pyrazole-4-carbaldehyde - CAS 864723-36-4
Catalog: |
BB037943 |
Product Name: |
1-(2-Chloroethyl)-1H-pyrazole-4-carbaldehyde |
CAS: |
864723-36-4 |
Synonyms: |
1-(2-chloroethyl)pyrazole-4-carbaldehyde |
IUPAC Name: | 1-(2-chloroethyl)pyrazole-4-carbaldehyde |
Description: | 1-(2-Chloroethyl)-1H-pyrazole-4-carbaldehyde (CAS# 864723-36-4) is a useful research chemical. |
Molecular Weight: | 158.59 |
Molecular Formula: | C6H7ClN2O |
Canonical SMILES: | C1=C(C=NN1CCCl)C=O |
InChI: | InChI=1S/C6H7ClN2O/c7-1-2-9-4-6(5-10)3-8-9/h3-5H,1-2H2 |
InChI Key: | KSLJPAOCJHQWEZ-UHFFFAOYSA-N |
Boiling Point: | 282 ℃ at 760 mmHg |
Density: | 1.29 g/cm3 |
MDL: | MFCD03727245 |
LogP: | 0.93440 |
GHS Hazard Statement: | H302 (100%): 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 |
US-2013023523-A1 | Pyridazino[4,5-d]pyrimidin-5(6h)-one inhibitors of kinases | 20110719 |
US-2014296220-A1 | Pyridazino[4,5-d]pyrimidin-5(6h)-one inhibitors of kinases | 20110719 |
US-8796289-B2 | Pyridazino[4,5-D]pyrimidin-5(6H)-one inhibitors of kinases | 20110719 |
US-9051327-B2 | Pyridazino[4,5-D]pyrimidin-5(6H)-one inhibitors of kinases | 20110719 |
WO-2013013031-A1 | Pyridazino [4, 5 -d] pyrimidin- (6h) -one inhibitors of wee - 1 kinase | 20110719 |
Complexity: | 120 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 158.0246905 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 158.0246905 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 34.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Pyrazoles
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS