3-Nitro-2,6-lutidine - CAS 15513-52-7
Catalog: |
BB011091 |
Product Name: |
3-Nitro-2,6-lutidine |
CAS: |
15513-52-7 |
Synonyms: |
2,6-dimethyl-3-nitropyridine |
IUPAC Name: | 2,6-dimethyl-3-nitropyridine |
Description: | 3-Nitro-2,6-lutidine (CAS# 15513-52-7) is a useful research chemical. |
Molecular Weight: | 152.15 |
Molecular Formula: | C7H8N2O2 |
Canonical SMILES: | CC1=NC(=C(C=C1)[N+](=O)[O-])C |
InChI: | InChI=1S/C7H8N2O2/c1-5-3-4-7(9(10)11)6(2)8-5/h3-4H,1-2H3 |
InChI Key: | AETHUDGJSSKZKT-UHFFFAOYSA-N |
Boiling Point: | 235.4 ℃ at 760 mmHg |
Purity: | 98 % |
Density: | 1.45 g/cm3 |
Appearance: | Off-white to tan powder |
MDL: | MFCD00023503 |
LogP: | 2.12980 |
GHS Hazard Statement: | H228 (100%): Flammable solid [Danger Flammable solids] |
Precautionary Statement: | P210, P240, P241, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020084094-A1 | Nitration | 20181026 |
EP-3717464-A1 | Nitration | 20181026 |
CN-113302186-A | Nitration | 20181026 |
EP-3717464-B1 | Nitration | 20181026 |
US-10696650-B2 | AHR inhibitors and uses thereof | 20170817 |
Complexity: | 155 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 152.058577502 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 152.058577502 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 58.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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