6,8-Dichloro-2H-benzo[b][1,4]oxazin-3(4H)-one - CAS 87571-80-0
Catalog: |
BB038528 |
Product Name: |
6,8-Dichloro-2H-benzo[b][1,4]oxazin-3(4H)-one |
CAS: |
87571-80-0 |
Synonyms: |
6,8-dichloro-4H-1,4-benzoxazin-3-one; 6,8-dichloro-4H-1,4-benzoxazin-3-one |
IUPAC Name: | 6,8-dichloro-4H-1,4-benzoxazin-3-one |
Description: | 6,8-Dichloro-2H-benzo[b][1,4]oxazin-3(4H)-one (CAS# 87571-80-0 ) is a useful research chemical. |
Molecular Weight: | 218.04 |
Molecular Formula: | C8H5Cl2NO2 |
Canonical SMILES: | C1C(=O)NC2=CC(=CC(=C2O1)Cl)Cl |
InChI: | InChI=1S/C8H5Cl2NO2/c9-4-1-5(10)8-6(2-4)11-7(12)3-13-8/h1-2H,3H2,(H,11,12) |
InChI Key: | NHULZNDEJMIUNY-UHFFFAOYSA-N |
LogP: | 2.46230 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-2048136-A1 | Phytotoxic halogenated derivatives of benzoxazinones | 20060728 |
US-2011059850-A1 | Phytotoxic halogenated derivatives of benzoxazinones | 20060728 |
Complexity: | 224 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.9697338 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.9697338 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 38.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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