4-Chloro-3-nitroanisole - CAS 10298-80-3
Catalog: |
BB000981 |
Product Name: |
4-Chloro-3-nitroanisole |
CAS: |
10298-80-3 |
Synonyms: |
Benzene, 1-chloro-4-methoxy-2-nitro-; Anisole, 4-chloro-3-nitro-; 2-Nitro-4-methoxychlorobenzene; NSC 47339 |
IUPAC Name: | 1-chloro-4-methoxy-2-nitrobenzene |
Description: | 4-Chloro-3-nitroanisole can be used as disperse azo dyes. |
Molecular Weight: | 187.58 |
Molecular Formula: | C7H6ClNO3 |
Canonical SMILES: | COC1=CC(=C(C=C1)Cl)[N+](=O)[O-] |
InChI: | InChI=1S/C7H6ClNO3/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3 |
InChI Key: | HISHUMDTGXICEZ-UHFFFAOYSA-N |
Boiling Point: | 210°C at 15 Torr |
Melting Point: | 52.5-53.5°C |
Purity: | ≥95% |
Density: | 1.366±0.06 g/cm3 |
Solubility: | Soluble in Methanol |
Appearance: | White to Amber Powder to Crystal |
Storage: | Store at RT |
MDL: | MFCD00007077 |
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 |
JP-2021064779-A | Organic electroluminescent device and benzocarbazole compound | 20190910 |
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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: | 2.2 |
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