Phthiocol supplier | CasNO.483-55-6

Name
2-hydroxy-3-methyl-1,4-naphthoquinone
EINECS 207-594-2
CAS No. 483-55-6
Article Data82
CAS DataBase
Density 1.389 g/cm³
Solubility
Melting Point 173-174°
Formula C₁₁H₈O₃
Boiling Point 342.655 °C at 760 mmHg
Molecular Weight 188.183
Flash Point 175.232 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1, 4-Naphthalenedione, 2-hydroxy-3-methyl-;1,4-Naphthalenedione, 2-hydroxy-3-methyl- (9CI);2-Hydroxy-3-methyl-1,4-naphthoquinone;3-Hydroxy-2-methyl-1, 4-naphthoquinone;4-08-00-02375 (Beilstein Handbook Reference);Q 1212;1,4-Naphthalenedione, 2-hydroxy-3-methyl-;3-Hydroxy-2-methyl-1,4-naphthoquinone;2-HYDROXY-3-METHYL-1,4-NAPHTHALENEDIONE;1,4-Naphthalenedione,2-hydroxy-3-methyl-;2-Methyl-3-hydroxy-1,4-naphthoquinone;Phthiokol;PHTHIOCOL;1,4-Naphthoquinone, 2-hydroxy-3-methyl-;4-hydroxy-3-methyl-naphthalene-1,2-dione;
PSA 54.37000
LogP 1.89760

Phthiocol Specification

The Phthiocol is an organic compound with the formula C₁₁H₈O₃. The IUPAC name of this chemical is 4-hydroxy-3-methylnaphthalene-1,2-dione. With the CAS registry number 483-55-6, it is also named as 2-Hydroxy-3-methyl-1,4-naphthoquinone. The classification codes are Drug / Therapeutic Agent; Mutation data. It is antihemorrhagic antibiotic isolated from Mycobacterium tuberculosis.

The other characteristics of Phthiocol can be summarized as: (1)ACD/LogP: 2.31; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 54.37 Å²; (7)Index of Refraction: 1.646; (8)Molar Refractivity: 49.194 cm³; (9)Molar Volume: 135.515 cm³; (10)Surface Tension: 61.929 dyne/cm; (11)Enthalpy of Vaporization: 61.892 kJ/mol; (12)Vapour Pressure: 0 mmHg at 25°C; (13)Tautomer Count: 22; (14)Exact Mass: 188.047344; (15)MonoIsotopic Mass: 188.047344; (16)Topological Polar Surface Area: 54.4; (17)Heavy Atom Count: 14; (18)Complexity: 327.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C2c1ccccc1C(=O)C(/O)=C2/C
2. InChI:InChI=1/C11H8O3/c1-6-9(12)7-4-2-3-5-8(7)11(14)10(6)13/h2-5,13H,1H3
3. InChIKey:LULCPJWUGUVEFU-UHFFFAOYAF

The following are the toxicity data which has been tested.

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
chicken	LDLo	intraperitoneal	100mg/kg (100mg/kg)	Proceedings of the Society for Experimental Biology and Medicine. Vol. 43, Pg. 125, 1940.
mouse	LDLo	intraperitoneal	150mg/kg (150mg/kg)	Proceedings of the Society for Experimental Biology and Medicine. Vol. 43, Pg. 125, 1940.
mouse	LDLo	oral	200mg/kg (200mg/kg)	Proceedings of the Society for Experimental Biology and Medicine. Vol. 43, Pg. 125, 1940.

Product Name

2-hydroxy-3-methyl-1,4-naphthoquinone

Phthiocol Specification

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