2,6-Dichloro-3-nitrobenzoic acid - CAS 55775-97-8
Catalog: |
BB029172 |
Product Name: |
2,6-Dichloro-3-nitrobenzoic acid |
CAS: |
55775-97-8 |
Synonyms: |
2,6-dichloro-3-nitrobenzoic acid |
IUPAC Name: | 2,6-dichloro-3-nitrobenzoic acid |
Description: | 2,6-Dichloro-3-nitrobenzoic acid (CAS# 55775-97-8) is a useful research chemical. |
Molecular Weight: | 236.01 |
Molecular Formula: | C7H3Cl2NO4 |
Canonical SMILES: | C1=CC(=C(C(=C1[N+](=O)[O-])Cl)C(=O)O)Cl |
InChI: | InChI=1S/C7H3Cl2NO4/c8-3-1-2-4(10(13)14)6(9)5(3)7(11)12/h1-2H,(H,11,12) |
InChI Key: | PCIHIUCCINHORT-UHFFFAOYSA-N |
Boiling Point: | 374.4 ℃ at 760 mmHg |
Melting Point: | 152-158 ℃ (lit.) |
Purity: | 95 % |
Density: | 1.713 g/cm3 |
Appearance: | White to off-white to yellow powder or crystals |
MDL: | MFCD00075422 |
LogP: | 3.12300 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111320548-A | Synthesis method of anticancer drug intermediate 2-fluoro-3-methyl aminobenzoate | 20200424 |
WO-2021119554-A1 | Compositions and methods for potentiating immune activity | 20191212 |
US-2020109141-A1 | Amino acid compounds and methods of use | 20181008 |
WO-2020076862-A1 | Amino acid compounds and methods of use | 20181008 |
TW-202028179-A | Amino acid compounds and methods of use | 20181008 |
PMID | Publication Date | Title | Journal |
15498670 | 20041115 | Synthesis and biological evaluation of indazolo[4,3-bc][1,5]naphthyridines (10-aza-pyrazolo[3,4,5-kl]acridines): a new class of antitumor agents | Bioorganic & medicinal chemistry |
Complexity: | 255 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 234.9439130 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 234.9439130 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 83.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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