3,5-Dimethoxyaniline - CAS 10272-07-8
Catalog: |
BB000929 |
Product Name: |
3,5-Dimethoxyaniline |
CAS: |
10272-07-8 |
Synonyms: |
3,5-dimethoxyaniline |
IUPAC Name: | 3,5-dimethoxyaniline |
Description: | 3,5-Dimethoxyaniline (CAS# 10272-07-8) is a compound useful in organic synthesis. |
Molecular Weight: | 153.18 |
Molecular Formula: | C8H11NO2 |
Canonical SMILES: | COC1=CC(=CC(=C1)N)OC |
InChI: | InChI=1S/C8H11NO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5H,9H2,1-2H3 |
InChI Key: | WNRGWPVJGDABME-UHFFFAOYSA-N |
Boiling Point: | 178 °C (20 mmHg) |
Melting Point: | 54-57 °C |
Flash Point: | 135 °C (C.C) |
Purity: | 95 % |
Density: | 1.096 g/cm3 |
Appearance: | White to beige-brownish powder or needles |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00008392 |
LogP: | 1.86720 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22346902 | 20120201 | 1-(3,5-Dimeth-oxy-phen-yl)-2-(4-fluoro-phen-yl)-4,5-dimethyl-1H-imidazole | Acta crystallographica. Section E, Structure reports online |
21837004 | 20110701 | N-(3,5-Dimeth-oxy-phen-yl)benzamide | Acta crystallographica. Section E, Structure reports online |
21578232 | 20091003 | Redetermination of ethyl (3a-cis)-3a,8b-dihydr-oxy-2-methyl-4-oxo-3a,8b-dihydro-4H-indeno[1,2-b]furan-3-carboxyl-ate monohydrate | Acta crystallographica. Section E, Structure reports online |
16880654 | 20060801 | Synthesis and cytotoxic activity of benzo[a]pyrano[3,2-h] and [2,3-i]xanthone analogues of psorospermine, acronycine, and benzo[a]acronycine | Chemical & pharmaceutical bulletin |
Complexity: | 107 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 153.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 153.078978594 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 44.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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