4-Nitrophenoxyacetic Acid - CAS 1798-11-4
Catalog: |
BB013602 |
Product Name: |
4-Nitrophenoxyacetic Acid |
CAS: |
1798-11-4 |
Synonyms: |
2-(4-nitrophenoxy)acetic acid; 2-(4-nitrophenoxy)acetic acid |
IUPAC Name: | 2-(4-nitrophenoxy)acetic acid |
Description: | 4-Nitrophenoxyacetic Acid (CAS# 1798-11-4) is a butyl p-nitrophenyl ether metabolite. Plant growth regulatory activity. |
Molecular Weight: | 197.14 |
Molecular Formula: | C8H7NO5 |
Canonical SMILES: | C1=CC(=CC=C1[N+](=O)[O-])OCC(=O)O |
InChI: | InChI=1S/C8H7NO5/c10-8(11)5-14-7-3-1-6(2-4-7)9(12)13/h1-4H,5H2,(H,10,11) |
InChI Key: | AVDLFIONKHGQAP-UHFFFAOYSA-N |
Boiling Point: | 399.9 °C at 760 mmHg |
Density: | 1.445 g/cm3 |
Appearance: | Yellow-beige crystalline powder |
MDL: | MFCD00017030 |
LogP: | 1.58140 |
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 |
US-2021177867-A1 | Compositions of bile acids and phenylbutyrate compounds | 20191216 |
US-2021186990-A1 | Methods and compositions for treating various disorders | 20191216 |
WO-2021126320-A1 | Treatment of amyotrophic lateral sclerosis | 20191216 |
WO-2021126870-A1 | Compositions of bile acids and phenylbutyrate compounds | 20191216 |
CN-112759564-A | Diaryl urea compound and its preparation method and medicinal use | 20191105 |
PMID | Publication Date | Title | Journal |
22590398 | 20120501 | Ethyl 2-(4-nitro-phen-oxy)acetate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 216 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 197.03242232 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.03242232 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 92.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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