Ethanone,2-chloro-1-(2,3-dihydroxyphenyl)- supplier

Name
Ethanone, 2-chloro-1-(2,3-dihydroxyphenyl)- (9CI)
EINECS
CAS No. 63704-55-2
Density 1.444 g/cm³
Solubility
Melting Point
Formula C₈H₇ClO₃
Boiling Point 341.6 °C at 760 mmHg
Molecular Weight 186.595
Flash Point 160.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pyrocatechol, 3-chloroacetyl-;2-Chloro-1-(2,3-dihydroxyphenyl)ethanone;m-Chloroacetylcatechol;3-Chloroacetylcatechol;
PSA 57.53000
LogP 1.51930

Ethanone,2-chloro-1-(2,3-dihydroxyphenyl)- Specification

The Ethanone,2-chloro-1-(2,3-dihydroxyphenyl)-, with the CAS registry number 63704-55-2, is also known as 3-Chloroacetylcatechol. It belongs to the product category of Acetylhalide. This chemical's molecular formula is C₈H₇ClO₃ and molecular weight is 186.59. What's more, its systematic name is 2-chloro-1-(2,3-dihydroxyphenyl)ethanone.

Physical properties of Ethanone,2-chloro-1-(2,3-dihydroxyphenyl)- are: (1)ACD/LogP: 2.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 1.68; (5)ACD/BCF (pH 5.5): 19.43; (6)ACD/BCF (pH 7.4): 9.21; (7)ACD/KOC (pH 5.5): 289.82; (8)ACD/KOC (pH 7.4): 137.34; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.611; (14)Molar Refractivity: 44.89 cm³; (15)Molar Volume: 129.2 cm³; (16)Polarizability: 17.79×10^-24cm³; (17)Surface Tension: 60.8 dyne/cm; (18)Density: 1.444 g/cm³; (19)Flash Point: 160.4 °C; (20)Enthalpy of Vaporization: 60.84 kJ/mol; (21)Boiling Point: 341.6 °C at 760 mmHg; (22)Vapour Pressure: 4.04E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCC(=O)c1cccc(O)c1O
(2)InChI: InChI=1S/C8H7ClO3/c9-4-7(11)5-2-1-3-6(10)8(5)12/h1-3,10,12H,4H2
(3)InChIKey: CNOGWTRHJRGQKY-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	75mg/kg (75mg/kg)		National Technical Information Service. Vol. AD691-490.

Product Name

Ethanone, 2-chloro-1-(2,3-dihydroxyphenyl)- (9CI)

Ethanone,2-chloro-1-(2,3-dihydroxyphenyl)- Specification

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