1-Chloroanthraquinone - CAS 82-44-0
Catalog: |
BB036822 |
Product Name: |
1-Chloroanthraquinone |
CAS: |
82-44-0 |
Synonyms: |
1-chloroanthracene-9,10-dione |
IUPAC Name: | 1-chloroanthracene-9,10-dione |
Description: | 1-Chloroanthraquinone (CAS# 82-44-0) is a useful research chemical. |
Molecular Weight: | 242.66 |
Molecular Formula: | C14H7ClO2 |
Canonical SMILES: | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)Cl |
InChI: | InChI=1S/C14H7ClO2/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7H |
InChI Key: | BOCJQSFSGAZAPQ-UHFFFAOYSA-N |
Boiling Point: | 425.7 °C at 760 mmHg |
Melting Point: | 157-162 °C |
Purity: | 98 % |
Density: | 1.418 g/cm3 |
Solubility: | Insol in water; slightly sol in hot alcohol; sol in nitrobenzene & hot amyl alcohol |
Appearance: | Light yellow to yellow powder or chunks |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
Decomposition: | When heated to decomp it emits very toxic fumes of /hydrogen chloride and nitrogen oxides |
MDL: | MFCD00001189 |
LogP: | 3.11540 |
Vapor Pressure: | 0.00000087 [mmHg] |
GHS Hazard Statement: | H315 (97.67%): 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 |
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PMID | Publication Date | Title | Journal |
21522465 | 20110226 | 1-Dimethyl-amino-9,10-anthraquinone | Acta crystallographica. Section E, Structure reports online |
17497021 | 20060101 | Design and synthesis of redox-switched lariat ethers and their application for transport of alkali and alkaline-Earth metal cations across supported liquid membrane | Bioinorganic chemistry and applications |
12699378 | 20030424 | Tripeptide probes for tripeptidyl protease I production via gene transfer | Journal of medicinal chemistry |
Complexity: | 352 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 242.0134572 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 242.0134572 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 34.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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