2,6-Dimethyl-3-nitroaniline - CAS 67083-28-7
Catalog: |
BB033187 |
Product Name: |
2,6-Dimethyl-3-nitroaniline |
CAS: |
67083-28-7 |
Synonyms: |
2,6-dimethyl-3-nitroaniline; 2,6-dimethyl-3-nitroaniline |
IUPAC Name: | 2,6-dimethyl-3-nitroaniline |
Description: | 2,6-Dimethyl-3-nitroaniline (CAS# 67083-28-7) is a useful research chemical. |
Molecular Weight: | 166.18 |
Molecular Formula: | C8H10N2O2 |
Canonical SMILES: | CC1=C(C(=C(C=C1)[N+](=O)[O-])C)N |
InChI: | InChI=1S/C8H10N2O2/c1-5-3-4-7(10(11)12)6(2)8(5)9/h3-4H,9H2,1-2H3 |
InChI Key: | LDFJDBAOBVUXMQ-UHFFFAOYSA-N |
Boiling Point: | 328 °C at 760 mmHg |
Density: | 1.22 g/cm3 |
MDL: | MFCD00156348 |
LogP: | 2.89820 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
BR-PI0716224-A2 | Raf inhibitor compounds and methods of use thereof. | 20060831 |
CA-2662285-A1 | Raf inhibitor compounds and methods of use thereof | 20060831 |
CN-101553492-A | RAF inhibitor compounds and methods of use thereof | 20060831 |
EP-2057168-A2 | Raf inhibitor compounds and methods of use thereof | 20060831 |
JP-2010502650-A | Raf inhibitory compounds and methods of use thereof | 20060831 |
Complexity: | 178 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.074227566 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.074227566 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 71.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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