4'-Chloro-3'-nitroacetophenone - CAS 5465-65-6
Catalog: |
BB028753 |
Product Name: |
4'-Chloro-3'-nitroacetophenone |
CAS: |
5465-65-6 |
Synonyms: |
1-(4-chloro-3-nitrophenyl)ethanone |
IUPAC Name: | 1-(4-chloro-3-nitrophenyl)ethanone |
Description: | 4'-Chloro-3'-nitroacetophenone (CAS# 5465-65-6) is a useful research chemical. |
Molecular Weight: | 199.59 |
Molecular Formula: | C8H6ClNO3 |
Canonical SMILES: | CC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-] |
InChI: | InChI=1S/C8H6ClNO3/c1-5(11)6-2-3-7(9)8(4-6)10(12)13/h2-4H,1H3 |
InChI Key: | YEVPHFIFGUWSMG-UHFFFAOYSA-N |
Boiling Point: | 288.1 ℃ at 760 mmHg |
Purity: | 98 % |
Density: | 1.378 g/cm3 |
Appearance: | Light yellow powder |
LogP: | 2.97400 |
GHS Hazard Statement: | H315 (87.76%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3632893-A1 | Vinylarene derivative and use thereof | 20170602 |
US-2017174704-A1 | Quinoxaline compounds and uses thereof | 20140418 |
CN-105916864-A | Method for producing cyclobutane tetracarboxylic acid derivative | 20140117 |
CN-105916864-B | The manufacturing method of cyclobutane tetracarboxylic acid derivatives | 20140117 |
CN-110590798-A | Process for producing cyclobutanetetracarboxylic acid derivative | 20140117 |
Complexity: | 226 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 199.0036207 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.0036207 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 62.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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