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5995-86-8

Basic Information
CAS No.: 5995-86-8
Name: Gallic acid monohydrate
Molecular Structure:
Molecular Structure of 5995-86-8 (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: IrritantXi
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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;

nickel(II) chloride tetrahydrate

5995-86-8

3,4,5-trihydroxybenzoic acid monohydrate

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

Conditions
ConditionsYield
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
ConditionsYield
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;

cobalt(II) chloride tetrahydrate

5995-86-8

3,4,5-trihydroxybenzoic acid monohydrate

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

Conditions
ConditionsYield
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
ConditionsYield
In water at 60℃; for 1h;
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  • Gallic acid monohydrate

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    5995-86-8

    Gallic acid monohydrate

    Min.Order: 1 Gram

    FOB Price:  USD $ 66.0-66.0

    Gallic acid monohydrate Chemical Properties Melting point 252 °C (dec.)(lit.) density 1.694 Fp 250 °C solubility It is soluble in alcohol, ether, glycerol, acetone negligible in benzene, chloroform, petroleum ether. form S

    SHANGHAI MINSTAR CHEMICAL CO., LTD. is a leading, experienced, professional supplier of API & intermediates, plant extract, food additive, fine chemicals and industry chemicals, et

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     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

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  • Gallic acid(Technical)

  • Casno:

    5995-86-8

    Gallic acid(Technical)

    Min.Order: 1 Kilogram

    FOB Price:  USD $ 18.0-20.0

    factory?direct?saleAppearance:White Powder Storage:Store In Dry, Cool And Ventilated Place Package:25kg/drum, also according to the clients requirement Application:It is widely used as a thickener, emulsifier and stabilizer Transportation:By Sea Or B

    Founded in 2008, East Chemsources Limited is a professional manufacturer of supplier in food and beverage, pharmaceuticals, cosmetics and other industries. pharmaceutical field in

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     China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:15053231572

    Address:No.1581-12,Jinshui Road, Licang, Qingdao,China

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  • Gallic acid(Technical)

  • Casno:

    5995-86-8

    Gallic acid(Technical)

    Min.Order: 1 Gram

    FOB Price:  USD $ 0.0-0.0

    Shandong Mopai Biotechnology Co., LTD is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemicals. W

    Shandong Mopai Biotechnology Co., LTD is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, s

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    China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:+86-15965530500

    Address:shandong

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  • Gallic acid(Technical)

  • Casno:

    5995-86-8

    Gallic acid(Technical)

    Min.Order: 1 Metric Ton

    FOB Price:  USD $ 1.5-1.5

    1.Applied in food field.it can improve the immune system and prolong life. 2.Appliedin cosmetic field.it can improve the skin care. 3.Applied in pharmaceutical field.it can treat various dieases. 4.Our product quality assurance will make our customer

    KAISA GROUP INC.is the enterprise which is specialize in manfacturing and exporting avariety of Chemical in China. We have the strong economic base and comprehensive technology.We

  •  KAISA GROUP INC

    United States  |  Contact Details

    Business Type:Trading Company

    Tel:+1(602)7853056

    Address:1312 17th Street Suite 1402 Denver CO 80202

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  • Gallic acid monohydrate

  • Casno:

    5995-86-8

    Gallic acid monohydrate

    Min.Order: 1 Gram

    FOB Price:  USD $ 0.0-0.0

    Located in Hangzhou National Hi-Tech Industrial Development Zone, zhongqichem is a technical company mainly focus on the Custom synthesis, manufacturing, sales of chemicals to various industries. Benefiting from the outstanding customer service an

    Located in Hangzhou National Hi-Tech Industrial Development Zone, Hangzhou zhongqi chem co.,Ltd is an ISO 9001:2015 & SGS certified molden chemical company,who is mainly focus on t

  •  Hangzhou Zhongqi chem Co.,Ltd.

     China (Mainland)  |  Contact Details

    Business Type:Other

    Tel:0086-571-86976032

    Address:Kangkang Gu 1010, Chun xiao road 61,Binjiang District 310052,Hangzhou city , China

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  • Gallic acid monohydrate

  • Casno:

    5995-86-8

    Gallic acid monohydrate

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    Appearance:95%+ Package:R&D,Pilot run Transportation:per client require Port:Express ,Air, Sea

    Hunan chemfish Pharmaceutical co.,Ltd.located in Lugu High-tech industral park ,Hunan province . with its own R&D center and more than 10000㎡manufacture plant . Chemfish owns

  •  Hunan chemfish Pharmaceutical co.,Ltd

     China (Mainland)  |  Contact Details

    Business Type:Manufacturers

    Tel:0731-85567275

    Address:No.10048, xiangjiang centry bulding ,kaifu district ,changsha city ,Hunan

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  • 3,4,5-Trihydroxybenzoic acid hydrate

  • Casno:

    5995-86-8

    3,4,5-Trihydroxybenzoic acid hydrate

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    LIDE PHARMACEUTICALS LIMITED is a professional leading manufacturer of chemicals and APIs in China. Our core business line covers APIs, Intermediates, Flavours and fragrances, Specialty chemicals, Dietary additives etc.We are specialized in chemical

    LIDE PHARMACEUTICALS LIMITED is one of the fastest growing pharmaceutical company in China. We have developed strategic partnership with our manufacturing associates having state o

  •  LIDE PHARMACEUTICALS LIMITED

    China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:+86-25-58409506

    Address:11F, Building A1, No.288 North Zhongshan Road, Gulou District, Nanjing,210003, P.R.China.

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  • Gallic acid(Technical)

  • Casno:

    5995-86-8

    Gallic acid(Technical)

    Min.Order: 1 Metric Ton

    FOB Price:  USD $ 1.0-1.0

    We are a Union of chemistry in China, consists of chemists,engineers, laboratories,factories in China. We organize surplus capacity of R&D and production as well as custom synthesis for chemical products and chemical business project. We are supp

    We are a Union of chemistry in China, consists of chemists,engineers, laboratories,factories in China. We organize surplus capacity of R&D and production in China for chemicals cus

  •  Bluecrystal chem-union

    China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:+86-1895157

    Address:Liang Xi Qu

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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