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569-77-7

Basic Information
CAS No.: 569-77-7
Name: PURPUROGALLIN
Article Data: 70
Molecular Structure:
Molecular Structure of 569-77-7 (PURPUROGALLIN)
Formula: C11H8 O5
Molecular Weight: 220.182
Synonyms: Purpurogallin(6CI); 2,3,4,6-Tetrahydroxy-5H-benzo[a]cyclohepten-5-one; NSC 35676; NSC 646653
Density: 1.74g/cm3
Melting Point: 275 °C (dec.)(lit.)
Boiling Point: 357.9°Cat760mmHg
Flash Point: 184.5°C
Hazard Symbols: Xi
Risk Codes: R36/37/38
Safety: Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 97.99000
LogP: 1.02240
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Chemistry

IUPAC Name: 1,2,3,9-tetrahydroxybenzo[7]annulen-8-one 
Molecular Formula: C11H8O5
EINECS: 209-324-9
Molecular Weight: 220.19g/mol
Density: 1.74g/cm3
Melting Point: 275 °C (dec.)(lit.)
Boiling Point: 357.9 °C at 760 mmHg
Flash Point: 184.5°C
Properties: Yellow or dark-red needles from AcOH.
Freely Rotating Bonds: 4
Polar Surface Area: 53.99 Å2
Index of Refraction: 1.79
Molar Refractivity: 53.32 cm3
Molar Volume: 125.8 cm3
Polarizability: 21.14 ×10-24 cm3
Surface Tension: 102.3 dyne/cm
Enthalpy of Vaporization: 69.85 kJ/mol
Vapour Pressure: 1.46E-06 mmHg at 25°C
The Cas Register Number  of 2,3,4,6-Tetrahydroxy-5h-benzocyclo-heptene-5-one is 569-77-7.The chemical synonyms of 2,3,4,6-Tetrahydroxy-5h-benzocyclo-heptene-5-one (CAS NO.569-77-7) are 2,3,4,6-Tetrahydroxy-5H-benzo[7]annulen-5-one ; 2,3,4,6-Tetrahydroxy-5H-benzocyclohepten-5-one ; 209-324-9 [EINECS/ELINCS] ; 5H-Benzocyclohepten-5-one, 2,3,4,6-tetrahydroxy-  ; 5H-Benzocycloheptene-5-one, 2,3,4,6-tetrahydroxy-  ; 1978265 [Beilstein] ; 2,3,4,6-Tetrahydroxy-5H-benzo[a]cyclohepten-5-one  ; 2,3,4,6-Tetrahydroxy-5H-benzocycloheptene-5-one ;  2,3,4,6-tetrahydroxybenzocyclohepten-5-one  .Product categories of 2,3,4,6-Tetrahydroxy-5h-benzocyclo-heptene-5-one (CAS NO.569-77-7) are  Tropolones ; Tropolones & Azulenes .The molecular structure of 2,3,4,6-Tetrahydroxy-5h-benzocyclo-heptene-5-one (CAS NO.569-77-7) is.

Uses

It can be used as pharmaceutical intermediate.

Toxicity Data With Reference

1.    

mma-sat 50 µg/plate

    PMRSDJ    Progress in Mutation Research. 1 (1981),11.

Consensus Reports

EPA Genetic Toxicology Program.

Safety Profile

Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36: Wear suitable protective clothing.