CAS No.5995-86-8,Gallic acid monohydrate Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	5995-86-8
Name:	Gallic acid monohydrate

Formula:	C₇H₈O₆
Molecular Weight:	188.137
Synonyms:	Benzoicacid, 3,4,5-trihydroxy-, monohydrate (9CI);Gallic acid, monohydrate (8CI);Callic acid;
EINECS:	205-749-9
Density:	1.694 g/cm³
Melting Point:	252 °C (dec.)(lit.)
Boiling Point:	596.6 °C at 760 mmHg
Flash Point:	314.6 °C
Solubility:	15 g/l (20 °C ) in water
Appearance:	off-white to beige powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36-24/25
PSA:	107.22000
LogP:	0.43730

Synthetic route

: 100-48-1
pyridine-4-carbonitrile

: 5995-86-8
3,4,5-trihydroxybenzoic acid monohydrate

: C7H6O5*C6H4N2

Conditions

Conditions	Yield
In methanol; water for 1h; Reflux;	67%

: 5995-86-8
3,4,5-trihydroxybenzoic acid monohydrate

: 77-78-1
dimethyl sulfate

: 1916-07-0
3,4,5-trimethoxybenzoic acid methyl ester

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide for 7h; Ambient temperature;	32.7 g

: iron(II) chloride tetrahydrate

: 5995-86-8
3,4,5-trihydroxybenzoic acid monohydrate

: iron(III) 3,4,5-trihydroxybenzoate dihydrate

Conditions

Conditions	Yield
In potassium hydroxide aq. KOH; other Radiation; Fe salt and C6H2(OH)3CO2H*H2O dissolved in aq. KOH, stirred in a microwave reactor for 10 min, heated at 150°C for 4 h; filtered, washed (H2O), dried for 1 h at 60°C;

: iron(II) chloride tetrahydrate

: 7789-20-0
water-d2

: 5995-86-8
3,4,5-trihydroxybenzoic acid monohydrate

: Fe(3+)*C6(2)H2O2(O(2)H)CO2(3-)*2(2)H2O=FeC6(2)H2O2(O(2)H)CO2*2(2)H2O

Conditions

Conditions	Yield
With KOH In water-d2 other Radiation; Fe salt and C6H2(OH)3CO2H*H2O dissolved in a D2O soln. of KOH, stirred in a microwave reactor for 10 min, heated at 150°C for 4 h; placedin a vial inside an autoclavable jar contg. D2O and heated at 80.degree .C for 2 d;

...Expand

: nickel(II) chloride tetrahydrate

: 5995-86-8
3,4,5-trihydroxybenzoic acid monohydrate

: nickel(II) 3,4,5-trihydroxybenzoate dihydrate

Conditions

Conditions	Yield
In potassium hydroxide aq. KOH; other Radiation; Ni salt and C6H2(OH)3CO2H*H2O dissolved in aq. KOH, stirred in a microwave reactor for 10 min, heated at 150°C for 4 h; filtered, washed (H2O), dried for 1 h at 60°C;

: nickel(II) chloride tetrahydrate

: 7789-20-0
water-d2

: 5995-86-8
3,4,5-trihydroxybenzoic acid monohydrate

: Ni(2+)*C6(2)H2O(O(2)H)2CO2(2-)*2(2)H2O=NiC6(2)H2O(O(2)H)2CO2*2(2)H2O

Conditions

Conditions	Yield
With KOH In water-d2 other Radiation; Ni salt and C6H2(OH)3CO2H*H2O dissolved in a D2O soln. of KOH, stirred in a microwave reactor for 10 min, heated at 150°C for 4 h; placedin a vial inside an autoclavable jar contg. D2O and heated at 80.degree .C for 2 d;

...Expand

: cobalt(II) chloride tetrahydrate

: 5995-86-8
3,4,5-trihydroxybenzoic acid monohydrate

: cobalt(II) 3,4,5-trihydroxybenzoate dihydrate

Conditions

Conditions	Yield
In potassium hydroxide aq. KOH; other Radiation; Co salt and C6H2(OH)3CO2H*H2O dissolved in aq. KOH, stirred in a microwave reactor for 10 min, heated at 125°C; filtered, washed (H2O), dried for 1 h at 60°C;

: 5995-86-8
3,4,5-trihydroxybenzoic acid monohydrate

: 19387-91-8
tinidazole

: C8H13N3O4S*C7H6O5

Conditions

Conditions	Yield
In water at 60℃; for 1h;

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Specification

This chemical is called Gallic acid monohydrate, and its systematic name is 3,4,5-trihydroxybenzoic acid hydrate. With the molecular formula of C₇H₈O₆, its molecular weight is 188.14. The CAS registry number of this chemical is 5995-86-8. Additionally, its product categories are Pharmaceutical Intermediates; Antioxidant; Biochemistry. It should be kept cool and dry.

Other characteristics of the Gallic acid monohydrate can be summarised as followings: (1)# of Rule of 5 Violations: 1 ; (2)#H bond acceptors: 6; (3)#H bond donors: 6; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 97.99 Å²; (6)Flash Point: 314.6 °C; (7)Enthalpy of Vaporization: 93.47 kJ/mol; (8)Boiling Point: 596.6 °C at 760 mmHg; (9)Vapour Pressure: 4.43E-15 mmHg at 25°C.

Production method of this chemical: The Gallic acid monohydrate could be obtained by the raw materials of tannic acid when hydrolysis happen in the presence of sulfuric acid.

Uses of this chemical: This chemical is used for the determination of cerium, titanium, phosphate and nitrite with the spectrophotometry. It's also used in the manufacture of thiazine dyes, oxazine dyes, drugs, etc.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. Avoid contacting with skin and eyes. In case of contacting 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.Oc1cc(cc(O)c1O)C(O)=O
2.InChI: InChI=1/C7H6O5.H2O/c8-4-1-3(7(11)12)2-5(9)6(4)10;/h1-2,8-10H,(H,11,12);1H2
3.InChIKey: IUTKPPDDLYYMBE-UHFFFAOYAM