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CAS No.: | 636-32-8 |
---|---|
Name: | 1,2,4,5-tetrahydroxybenzene |
Article Data: | 36 |
Molecular Structure: | |
Formula: | C6H6O4 |
Molecular Weight: | 142.111 |
Synonyms: | Benzene-1,2,4,5-tetrol;1,2,4,5-Tetrahydroxybenzene; |
Density: | 1.709 g/cm3 |
Melting Point: | 210 °C |
Boiling Point: | 477.129 °C at 760 mmHg |
Flash Point: | 256.242 °C |
PSA: | 80.92000 |
LogP: | 0.50900 |
Conditions | Yield |
---|---|
With hydrogenchloride; tin at 95℃; for 1h; | 99% |
With hydrogenchloride; tin In water for 1h; Reflux; | 98% |
With hydrogenchloride; tin | 78% |
Conditions | Yield |
---|---|
With tin In hydrogenchloride |
Conditions | Yield |
---|---|
With hydrogenchloride In water | 2.00 g (14.07 mmol, 49.3%) |
1,2,4,5-benzenetetrol
Conditions | Yield |
---|---|
With potassium bisulfite | |
With hydrogenchloride; tin |
1,4-Benzochinon-2,5-di-(3-oxypropansaeure)
1,2,4,5-benzenetetrol
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: aq. NaOH / 70 °C 2: H2 / Pd-C / ethanol View Scheme |
1,2,4,5-benzenetetrol
Conditions | Yield |
---|---|
With sodium dithionite | |
With hydrogenchloride; palladium on activated charcoal; carbon monoxide |
1,2,4,5-benzenetetrol
Conditions | Yield |
---|---|
With hydrogenchloride; tin(ll) chloride |
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1,2,4,5-Benzenetetrol is an organic compound with the formula C6H6O4, and its systematic name is the same with the product name. With the CAS registry number 636-32-8, it is also named as Benzene-1,2,4,5-tetrol. In addition, the molecular weight is 142.11.
Physical properties of 1,2,4,5-Benzenetetrol are: (1)ACD/LogP: -1.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.23; (4)ACD/LogD (pH 7.4): -1.23; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 5.10; (8)ACD/KOC (pH 7.4): 5.08; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 80.92 Å2; (13)Index of Refraction: 1.747; (14)Molar Refractivity: 33.779 cm3; (15)Molar Volume: 83.153 cm3; (16)Polarizability: 13.391×10-24cm3; (17)Surface Tension: 106.82 dyne/cm; (18)Density: 1.709 g/cm3; (19)Flash Point: 256.242 °C; (20)Enthalpy of Vaporization: 76.925 kJ/mol; (21)Boiling Point: 477.129 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1c(O)cc(O)c(O)c1
(2)Std. InChI: InChI=1S/C6H6O4/c7-3-1-4(8)6(10)2-5(3)9/h1-2,7-10H
(3)Std. InChIKey: UYQMSQMCIYSXOW-UHFFFAOYSA-N