3-Methyl-2-nitroanisole - CAS 5345-42-6
Catalog: |
BB028225 |
Product Name: |
3-Methyl-2-nitroanisole |
CAS: |
5345-42-6 |
Synonyms: |
1-methoxy-3-methyl-2-nitrobenzene |
IUPAC Name: | 1-methoxy-3-methyl-2-nitrobenzene |
Description: | 3-Methyl-2-nitroanisole (CAS# 5345-42-6) is a useful research chemical. |
Molecular Weight: | 167.16 |
Molecular Formula: | C8H9NO3 |
Canonical SMILES: | CC1=C(C(=CC=C1)OC)[N+](=O)[O-] |
InChI: | InChI=1S/C8H9NO3/c1-6-4-3-5-7(12-2)8(6)9(10)11/h3-5H,1-2H3 |
InChI Key: | MGBRGNWARSQECY-UHFFFAOYSA-N |
Boiling Point: | 271.1 ℃ at 760 mmHg |
Melting Point: | 48-50 ℃ |
Purity: | 95 % |
Density: | 1.18 g/cm3 |
Appearance: | White to yellowish crystals |
LogP: | 2.43500 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2020070436-A | Composition, solder resist composition, cured product and method for producing cured product | 20181025 |
CN-108530335-B | Indole compound and preparation method and application thereof | 20180521 |
CN-111094256-A | Compound, latent ultraviolet absorber, composition, cured product, and method for producing cured product | 20171005 |
KR-20200064029-A | Compound, latent ultraviolet absorber, composition, cured product and method for producing cured product | 20171005 |
TW-201922717-A | Method for producing compound, latent ultraviolet absorber, composition, cured product and cured product | 20171005 |
Complexity: | 166 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.058243149 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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