4-Methoxy-3-nitroaniline - CAS 577-72-0
Catalog: |
BB029812 |
Product Name: |
4-Methoxy-3-nitroaniline |
CAS: |
577-72-0 |
Synonyms: |
4-methoxy-3-nitroaniline; 4-methoxy-3-nitroaniline |
IUPAC Name: | 4-methoxy-3-nitroaniline |
Description: | 4-Methoxy-3-nitroaniline (CAS# 577-72-0) is a useful research chemical. |
Molecular Weight: | 168.15 |
Molecular Formula: | C7H8N2O3 |
Canonical SMILES: | COC1=C(C=C(C=C1)N)[N+](=O)[O-] |
InChI: | InChI=1S/C7H8N2O3/c1-12-7-3-2-5(8)4-6(7)9(10)11/h2-4H,8H2,1H3 |
InChI Key: | RUFOHZDEBFYQSV-UHFFFAOYSA-N |
Boiling Point: | 356.9 ℃ at 760 mmHg |
Density: | 1.318 g/cm3 |
MDL: | MFCD00134138 |
LogP: | 2.29000 |
GHS Hazard Statement: | H317 (97.5%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112094405-A | Synthesis and application method of modified PEG (polyethylene glycol) ball | 20200923 |
CN-111704555-A | Method for synthesizing 4-methoxy-2-nitroaniline by adopting continuous flow reactor | 20200617 |
CN-110563253-A | treatment method of anisole organic wastewater | 20190905 |
KR-20210015730-A | Oxo-pyridine fused ring derivatives and pharmaceutical composition containing the same | 20190802 |
WO-2021025407-A1 | Oxo-pyridine fusion ring derivative and pharmaceutical composition comprising same | 20190802 |
Complexity: | 169 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.05349212 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.05349212 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 81.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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