5-Chloro-2-nitroanisole - CAS 6627-53-8
Catalog: |
BB032959 |
Product Name: |
5-Chloro-2-nitroanisole |
CAS: |
6627-53-8 |
Synonyms: |
Benzene, 4-chloro-2-methoxy-1-nitro-; Anisole, 5-chloro-2-nitro-; 2-Methoxy-4-chloronitrobenzene; 2-Nitro-5-chloroanisole; 3-Methoxy-4-nitro-1-chlorobenzene; 4-Chloro-2-(methyloxy)-1-nitrobenzene; 4-Chloro-2-methoxynitrobenzene; 5-Chloro-2-nitrophenyl methyl ether; NSC 60112 |
IUPAC Name: | 4-chloro-2-methoxy-1-nitrobenzene |
Molecular Weight: | 187.58 |
Molecular Formula: | C7H6ClNO3 |
Canonical SMILES: | COC1=C(C=CC(=C1)Cl)[N+](=O)[O-] |
InChI: | InChI=1S/C7H6ClNO3/c1-12-7-4-5(8)2-3-6(7)9(10)11/h2-4H,1H3 |
InChI Key: | ABEUJUYEUCCZQF-UHFFFAOYSA-N |
Boiling Point: | 289.1±20.0°C at 760 mmHg |
Melting Point: | 70-72°C |
Purity: | ≥95% |
Density: | 1.366±0.06 g/cm3 |
Solubility: | Soluble in Chloroform, Ethyl Acetate, Methanol |
Appearance: | Yellow Solid |
Storage: | Store at RT |
MDL: | MFCD00007288 |
LogP: | 2.78000 |
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 |
CN-109912437-B | Polyamine monomer and preparation method thereof, polyimide and preparation method thereof, and polyimide film | 20190320 |
RU-2671581-C1 | Method of obtaining dinitroprotective diphenyl and triphenyl ethers | 20171228 |
AU-2017345736-A1 | TYK2 inhibitors and uses thereof | 20161021 |
CA-3040286-A1 | Tyk2 inhibitors and uses thereof | 20161021 |
EP-3528816-A1 | Tyk2 inhibitors and uses thereof | 20161021 |
Complexity: | 171 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.0036207 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.0036207 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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