CAS No.7451-98-1,3',4'-DIHYDROXYPROPIOPHENONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	7451-98-1
Name:	3',4'-DIHYDROXYPROPIOPHENONE
Article Data:	5

Formula:	C₉H₁₀O₃
Molecular Weight:	166.177
Synonyms:	3,4-Dihydroxypropiophenone;1-(3,4-Dihydroxyphenyl)-1-propanone;Propiophenone,3',4'-dihydroxy- (6CI,7CI,8CI);1,2-Dihydroxy-4-propionylbenzene;NSC 63842;
Density:	1.237 g/cm³
Melting Point:	145-146°C
Boiling Point:	375.1 °C at 760 mmHg
Flash Point:	194.8 °C
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	57.53000
LogP:	1.69050

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Specification

The 1-Propanone,1-(3,4-dihydroxyphenyl)- is an organic compound with the formula C₉H₁₀O₃. The IUPAC name of this chemical is 1-(3,4-dihydroxyphenyl)propan-1-one. With the CAS registry number 7451-98-1, it is also named as 3,4-Dihydroxypropiophenone. The product's category is Aromatic Propiophenones (substituted). Besides, it should be stored in a closed cool and dry place.

Physical properties about 1-Propanone,1-(3,4-dihydroxyphenyl)- are: (1)ACD/LogP: 1.82; (2)ACD/LogD (pH 5.5): 1.81; (3)ACD/LogD (pH 7.4): 1.78; (4)ACD/BCF (pH 5.5): 14.1; (5)ACD/BCF (pH 7.4): 13.13; (6)ACD/KOC (pH 5.5): 231.21; (7)ACD/KOC (pH 7.4): 215.44; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 35.53 Å²; (12)Index of Refraction: 1.579; (13)Molar Refractivity: 44.67 cm³; (14)Molar Volume: 134.3 cm³; (15)Polarizability: 17.71×10^-24cm³; (16)Surface Tension: 52.8 dyne/cm; (17)Density: 1.237 g/cm³; (18)Flash Point: 194.8 °C; (19)Enthalpy of Vaporization: 64.7 kJ/mol; (20)Boiling Point: 375.1 °C at 760 mmHg; (21)Vapour Pressure: 3.69E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, 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)CC
(2)InChI: InChI=1/C9H10O3/c1-2-7(10)6-3-4-8(11)9(12)5-6/h3-5,11-12H,2H2,1H3
(3)InChIKey: HNWIHBDMOYWCGX-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C9H10O3/c1-2-7(10)6-3-4-8(11)9(12)5-6/h3-5,11-12H,2H2,1H3
(5)Std. InChIKey: HNWIHBDMOYWCGX-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	650mg/kg (650mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)	Journal of Medicinal Chemistry. Vol. 7, Pg. 178, 1964.
mouse	LD50	oral	760mg/kg (760mg/kg)		Pharmaceutical Chemistry Journal Vol. 23, Pg. 990, 1989.