5-(2,4-Dichlorophenyl)-1H-tetrazole - CAS 50907-22-7
Catalog: |
BB027258 |
Product Name: |
5-(2,4-Dichlorophenyl)-1H-tetrazole |
CAS: |
50907-22-7 |
Synonyms: |
5-(2,4-dichlorophenyl)-2H-tetrazole |
IUPAC Name: | 5-(2,4-dichlorophenyl)-2H-tetrazole |
Description: | 5-(2,4-Dichlorophenyl)-1H-tetrazole (CAS# 50907-22-7) is a useful research chemical. |
Molecular Weight: | 215.04 |
Molecular Formula: | C7H4Cl2N4 |
Canonical SMILES: | C1=CC(=C(C=C1Cl)Cl)C2=NNN=N2 |
InChI: | InChI=1S/C7H4Cl2N4/c8-4-1-2-5(6(9)3-4)7-10-12-13-11-7/h1-3H,(H,10,11,12,13) |
InChI Key: | DPHDYJRNGBXYQG-UHFFFAOYSA-N |
Boiling Point: | 389.1 ℃ at 760 mmHg |
Density: | 1.574 g/cm3 |
Appearance: | Solid |
MDL: | MFCD01075709 |
LogP: | 2.17350 |
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 |
Publication Number | Title | Priority Date |
US-2010256109-A1 | Azetidines As EP2 Antagonists | 20071115 |
WO-2009063365-A1 | Azetidines as ep2 antagonists | 20071115 |
AU-2004211637-A1 | Macrocyclic hepatitis C serine protease inhibitors | 20030207 |
AU-2004211637-B2 | Macrocyclic hepatitis C serine protease inhibitors | 20030207 |
AU-2004211637-C1 | Macrocyclic hepatitis C serine protease inhibitors | 20030207 |
Complexity: | 180 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.9813015 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.9813015 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 54.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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