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1072-84-0

Basic Information
CAS No.: 1072-84-0
Name: 1H-Imidazole-4-carboxylic acid
Molecular Structure:
Molecular Structure of 1072-84-0 (1H-Imidazole-4-carboxylic acid)
Formula: C4H4N2O2
Molecular Weight: 112.09
Synonyms: 1H-Imidazole-4-carboxylicacid (9CI);Imidazole-4(or 5)-carboxylic acid (6CI,7CI);Imidazole-4-carboxylicacid (8CI);4-Carboxyimidazole;Imidazole-5-carboxylic acid;NSC 32340;
EINECS: 214-017-8
Density: 1.524 g/cm3
Melting Point: 243-245 °C
Boiling Point: 495 °C at 760 mmHg
Flash Point: 253.2 °C
Solubility:
Appearance: Gray or tan powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36-37/39
Transport Information:
PSA: 65.98000
LogP: 0.10790
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    Tel:0086-571-86976032

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

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  • Imidazole-4-carboxylic acid

  • Casno:

    1072-84-0

    Imidazole-4-carboxylic acid

    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

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    Business Type:Manufacturers

    Tel:0731-85567275

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

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  • 1H-Imidazole-4-carboxylic acid

  • Casno:

    1072-84-0

    1H-Imidazole-4-carboxylic acid

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0/

    Product Name: 1H-Imidazole-4-carboxylic acid Synonyms: 4-carboxyimidazole;RARECHEM AL BE 0762;IMIDAZOLE-4-CARBOXYLIC ACID;4(5)-IMIDAZOLECARBOXYLIC AC…Appearance:Solid powder Storage:Sealed,light and oxygen resistant Package:aluminum foil bag,carton

    Kono Chem Co.,Ltd is a leading producer of standardized herbal extracts, natural active ingredients and APIs for pharmaceutical, health food and cosmetic industries. Annually, mo

  •  Kono Chem Co.,Ltd

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    Tel:86-29-86107037-8015

    Address:No.11 Daqing Road,Lianhu District,Xi’an 710082,China

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  • 1H-Imidazole-4-carboxylic acid

  • Casno:

    1072-84-0

    1H-Imidazole-4-carboxylic acid

    Min.Order: 1 Gram

    FOB Price:  USD $ 2.0-2.0/Gram

    Hangzhou KieRaychem Co.,Ltd.is located in Yuhang District of Hangzhou City and specialized in the chemical product customization, development, sales, import and export. Current business is focused on fine chemicals, pharmaceutical materials and inter

    Hangzhou KieRaychem Co.,Ltd.is located in Yuhang District of Hangzhou City and specialized in the chemical product customization, development, sales, import and export. Current bus

  •  Hangzhou KieRay Chem Co.,Ltd.

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    Business Type:Lab/Research institutions

    Tel:+86-15336573147

    Address:Room 260, Building 3, No. 76 Xingqiao North Road, Xingqiao Street, Yuhang District, Hangzhou City, Zhejiang Province, China

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  • 1H-Imidazole-4-carboxylic acid high purity 98%

  • Casno:

    1072-84-0

    1H-Imidazole-4-carboxylic acid high purity 98%

    Min.Order: 1 Kilogram

    FOB Price:  USD $ 280.0-280.0/Kilogram

    Hubei Vanz Pharm Co. Ltd. is located in Wuhan, Hubei province. We are one of the most professional company in pharm/chmecial industry for more than 10 years. We are manufacture for the materials, and other sarms, steriods. We also produce. We expo

    Wuhan Vanz Pharm Inc. is a manufacturer&trading company.

  •  Hubei Vanz Pharm Co.,Ltd

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    Business Type:Manufacturers

    Tel:86-27-84492310

    Address:FANHU INDUSTRY PARK

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Specification

The IUPAC name of this product is 1H-imidazole-5-carboxylic acid. With the CAS registry number 1072-84-0, it is also named as 4-Carboxyimidazole. The product's categories are blocks; carboxes; imidazoles; imidazoles, pyrroles, pyrazoles, pyrrolidines; pharmacetical; heterocyclic compounds; heterocycle; imidaxoles; carboxylic acids; imidazoles & benzimidazoles; building blocks; heterocyclic building blocks. In addition, 1H-Imidazole-4-carboxylic acid is gray or tan powder which should be stored in refrigerator.

The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.87; (4)ACD/LogD (pH 7.4): -3.23; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.616; (13)Molar Refractivity: 25.7 cm3; (14)Molar Volume: 73.5 cm3; (15)Polarizability: 10.19×10-24 cm3; (16)Surface Tension: 84.9 dyne/cm; (17)Enthalpy of Vaporization: 80.3 kJ/mol; (18)Vapour Pressure: 1.29E-10 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Tautomer Count: 4; (21)Exact Mass: 112.027277; (22)MonoIsotopic Mass: 112.027277; (23)Topological Polar Surface Area: 66; (24)Heavy Atom Count: 8.

Preparation of 1H-Imidazole-4-carboxylic acid: It can be obtained by 1H-imidazole-4,5-dicarboxylic acid with acetic anhydride under heating. The reaction time is 5 hours. The yield is 80%.

Uses of 1H-Imidazole-4-carboxylic acid: It can react with ethanol to get 1(3)H-imidazole-4-carboxylic acid ethyl ester. This reaction needs reagent conc. H2SO4 by heating. The reaction time is 36 hours. The yield is 90%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, suitable gloves and eye/face protection.

People can use the following data to convert to the molecule structure. 
1. SMILES: O=C(O)c1cncn1;
2. InChI: InChI=1/C4H4N2O2/c7-4(8)3-1-5-2-6-3/h1-2H,(H,5,6)(H,7,8).

The following are the toxicity data which has been tested.

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1650mg/kg (1650mg/kg)   Progress in Biochemical Pharmacology. Vol. 1, Pg. 542, 1965.

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