Products Categories
CAS No.: | 1197-09-7 |
---|---|
Name: | 3,4-Dihydroxyacetophenone |
Article Data: | 70 |
Molecular Structure: | |
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 |
What can I do for you?
Get Best Price
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 %.
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 %.
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. |