CAS No.1197-09-7,3,4-Dihydroxyacetophenone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1197-09-7
Name:	3,4-Dihydroxyacetophenone
Article Data:	70

Formula:	C₈H₈O₃
Molecular Weight:	152.15
Synonyms:	Acetophenone,3',4'-dihydroxy- (7CI,8CI);1-(3,4-Dihydroxyphenyl)ethan-1-one;1-(3,4-Dihydroxyphenyl)ethanone;3',4'-Dihydroxyacetophenone;4-Acetopyrocatechol;4-Acetyl-1,2-benzenediol;4-Acetylcatechol;4-Acetylpyrocatechol;Acetopyrocatechol;
Density:	1.291 g/cm³
Melting Point:	117 °C
Boiling Point:	372.407 °C at 760 mmHg
Flash Point:	193.205 °C
Appearance:	light yellow to dark yellow liquid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37
PSA:	57.53000
LogP:	1.30040

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Specification

The 3',4'-Dihydroxyacetophenone, with the CAS registry number 1197-09-7, is also known as Ethanone, 1-(3,4-dihydroxyphenyl)-. It belongs to the product category of Aromatic Acetophenones & Derivatives (Substituted). This chemical's molecular formula is C₈H₈O₃ and molecular weight is 152.15. What's more, both its IUPAC name and systematic name are the same which is called 1-(3,4-Dihydroxyphenyl)ethanone. It should be stored in a cool, dry and well-ventilated place.

Physical properties about 3',4'-Dihydroxyacetophenone are: (1)ACD/LogP: 1.056; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.06; (4)ACD/LogD (pH 7.4): 0.95; (5)ACD/BCF (pH 5.5): 3.73; (6)ACD/BCF (pH 7.4): 2.93; (7)ACD/KOC (pH 5.5): 89.16; (8)ACD/KOC (pH 7.4): 70.17; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 57.53 Å²; (13)Index of Refraction: 1.595; (14)Molar Refractivity: 40.044 cm³; (15)Molar Volume: 117.823 cm³; (16)Polarizability: 15.875×10^-24cm³; (17)Surface Tension: 56.12 dyne/cm; (18)Density: 1.291 g/cm³; (19)Flash Point: 193.205 °C; (20)Enthalpy of Vaporization: 64.387 kJ/mol; (21)Boiling Point: 372.407 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

Preparation of 3',4'-Dihydroxyacetophenone: this chemical can be prepared by benzene-1,2-diol with acetyl chloride. This reaction needs reagent AlCl₃ and solvent CH₂Cl₂ at ambient temperature. The reaction time is hours. The yield is %.

3',4'-Dihydroxyacetophenone can be prepared by benzene-1,2-diol with acetyl chloride.

Uses of 3',4'-Dihydroxyacetophenone: it is used to produce other chemicals. For example, it can react with 1-(3,4-dihydroxy-phenyl)-ethanone to get bromomethyl-benzene. The reaction occurs with reagent acetone and other condition of heating for 20 hours. The yield is 78 %.

3',4'-Dihydroxyacetophenone can react with 1-(3,4-dihydroxy-phenyl)-ethanone to get bromomethyl-benzene.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable protective clothing and gloves. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1cc(O)c(O)cc1)C
(2) InChI: InChI=1S/C8H8O3/c1-5(9)6-2-3-7(10)8(11)4-6/h2-4,10-11H,1H3
(3) InChIKey: UCQUAMAQHHEXGD-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	235mg/kg (235mg/kg)		Zhongcaoyao. Chinese Traditional and Herbal Medicine. Vol. 11, Pg. 358, 1980.