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  • 2,4-Dihydroxyacetophenone
Name:2,4-Dihydroxyacetophenone
CAS No:89-84-9

PRODUCT DESCRIPTION

【Name】
2',4'-Dihydroxyacetophenone
【CAS Registry number】
89-84-9
【Synonyms】
4-Acetylresorcinol
Resacetophenone
2,4-Dihydroxyacetophenone
【EINECS(EC#)】
201-945-3
【Molecular Formula】
C8H8O3 (Products with the same molecular formula)
【Molecular Weight】
152.15
【Inchi】
InChI=1/C8H8O3/c1-5(9)7-3-2-6(10)4-8(7)11/h2-4,10-11H,1H3
【InChIKey】
SULYEHHGGXARJS-UHFFFAOYSA-N
【Canonical SMILES】
CC(=O)C1=C(C=C(C=C1)O)O
【MOL File】
89-84-9.mol

Chemical and Physical Properties

【Appearance】
yellow to brown crystalline powder
【Density】
1.18
【Melting Point】
143-147℃
【Boiling Point】
319.3 °C at 760 mmHg
【Refractive Index】
1.56467 (141.1 C)
【Flash Point】
161.1 °C
【Solubilities】
Slightly soluble
【Stability】
Stable at room temperature in closed containers under normal storage and handling conditions.
【HS Code】
29145000
【Storage temp】
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
【Computed Properties】
Molecular Weight:152.14732 [g/mol]
Molecular Formula:C8H8O3
XLogP3:1.7
H-Bond Donor:2
H-Bond Acceptor:3
Rotatable Bond Count:1
Tautomer Count:21
Exact Mass:152.047344
MonoIsotopic Mass:152.047344
Topological Polar Surface Area:57.5
Heavy Atom Count:11
Formal Charge:0
Complexity:155
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:2
Feature 3D Ring Count:1
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:4

Safety and Handling

【Hazard Codes】
Xi:Irritant
【Risk Statements】
R36/37/38
【Safety Statements 】
S24/25
【Hazard Note】

Irritant

【Safety】

Hazard Codes:?IrritantXi 
Risk Statements: 36/37/38?
R36/37/38:Irritating to eyes, respiratory system and skin. 
Safety Statements: 26-36-24/25?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36:Wear suitable protective clothing.?
S24/25:Avoid contact with skin and eyes. 
WGK Germany: 2
RTECS: AM7525000
Hazard Note: Irritant 
HS Code: 29145000 
Moderately toxic by ingestion. Experimental reproductive effects. A severe eye irritant. When heated to decomposition it emits acrid smoke and irritating fumes.

【Sensitive】
Moisture Sensitive
【Specification】

?2,4-Dihydroxyacetophenone (CAS NO.89-84-9) is also named as 1-(2,4-Dihydroxyphenyl)ethanone ; 2,4-Dihydroxyacetophenone ; 4-08-00-01792 (Beilstein Handbook Reference) ; 4-Acetylresorcinol ; AI3-00866 ; BRN 1282505 ; NSC 10883 ; Resacetophenone ; Resoacetophenone ; Resorcinol, 4-acetyl- ; UNII-UC3V356VZC?.?2,4-Dihydroxyacetophenone (CAS NO.89-84-9) is yellow-brown to reddish-brown fine cryst. It is soluble in hot alcohol, pyridine, and glacial acetic acid, almost insoluble in ether, benzene and chloroform.

【Report】

Reported in EPA TSCA Inventory.

Use and Manufacturing

【Usage】

Reagent for iron as a 10% alcoholic solution.

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