4,5-Dimethoxy-2-nitroaniline - CAS 7595-31-5
Catalog: |
BB035447 |
Product Name: |
4,5-Dimethoxy-2-nitroaniline |
CAS: |
7595-31-5 |
Synonyms: |
4,5-dimethoxy-2-nitroaniline; 4,5-dimethoxy-2-nitroaniline |
IUPAC Name: | 4,5-dimethoxy-2-nitroaniline |
Description: | 4,5-Dimethoxy-2-nitroaniline (CAS# 7595-31-5) is a compound useful in organic synthesis. |
Molecular Weight: | 198.18 |
Molecular Formula: | C8H10N2O4 |
Canonical SMILES: | COC1=C(C=C(C(=C1)N)[N+](=O)[O-])OC |
InChI: | InChI=1S/C8H10N2O4/c1-13-7-3-5(9)6(10(11)12)4-8(7)14-2/h3-4H,9H2,1-2H3 |
InChI Key: | LDAJFLKWQVYIFG-UHFFFAOYSA-N |
Boiling Point: | 383 °C at 760 mmHg |
Density: | 1.307 g/cm3 |
MDL: | MFCD00087550 |
LogP: | 2.29860 |
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, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111362867-A | Mobile terminal, shell assembly, electrochromic material and preparation method thereof | 20200420 |
US-2015065468-A1 | Biaryl acetamide compounds and methods of use thereof | 20130830 |
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US-2012022070-A1 | Heat Shock Protein 90 Inhibitors, Methods Of Preparing Same, And Methods For Their Use | 20081006 |
WO-2010042500-A2 | Heat shock protein 90 inhibitors, methods of preparing same, and methods for their use | 20081006 |
Complexity: | 206 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.06405680 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.06405680 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 90.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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