5-Chlorobenzofurazan 3-oxide - CAS 39060-31-6
Catalog: |
BB023829 |
Product Name: |
5-Chlorobenzofurazan 3-oxide |
CAS: |
39060-31-6 |
Synonyms: |
5-chloro-3-oxido-2,1,3-benzoxadiazol-3-ium |
IUPAC Name: | 5-chloro-3-oxido-2,1,3-benzoxadiazol-3-ium |
Description: | 5-Chlorobenzofurazan 3-oxide (CAS# 39060-31-6 ) is a useful research chemical. |
Molecular Weight: | 170.55 |
Molecular Formula: | C6H3ClN2O2 |
Canonical SMILES: | C1=CC2=NO[N+](=C2C=C1Cl)[O-] |
InChI: | InChI=1S/C6H3ClN2O2/c7-4-1-2-5-6(3-4)9(10)11-8-5/h1-3H |
InChI Key: | CVHOKJCSOAHYAJ-UHFFFAOYSA-N |
Boiling Point: | 287.1 °C at 760 mmHg |
Density: | 1.69 g/cm3 |
Appearance: | Yellow powder or crystals |
MDL: | MFCD00179587 |
LogP: | 1.90970 |
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 |
CZ-2014459-A3 | Detection tube for determining 2-chlorobenzylidene malononitrile aerosol | 20140702 |
CZ-305796-B6 | Detection tube for detection of 2-chlorobenzylidenemalononitrile aerosol | 20140702 |
CZ-25040-U1 | Detection tube with 4-chloro-5,7-dinitrobenzofurazan for detection of CS and CN irritants | 20121211 |
CZ-22993-U1 | Detection tube with sponge for CS detection | 20111017 |
CZ-14444-U1 | Detection tube for determination of irritants | 20040413 |
Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 169.9883050 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.9883050 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 51.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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