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1945-77-3

Basic Information
CAS No.: 1945-77-3
Name: METHYLTHYMOL BLUE
Molecular Structure:
Molecular Structure of 1945-77-3 (METHYLTHYMOL BLUE)
Formula: C37H40N2Na4O13S
Molecular Weight: 844.74
Synonyms: Aceticacid,[3H-2,1-benzoxathiol-3-ylidenebis[(6-hydroxy-5-isopropyl-2-methyl-m-phenylene)methylenenitrilo]]tetra-,S,S-dioxide, tetrasodium salt (8CI);Glycine,N,N'-[(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[[6-hydroxy-2-methyl-5-(1-methylethyl)-3,1-phenylene]methylene]]bis[N-(carboxymethyl)-,tetrasodium salt (9CI);Glycine,N,N'-[3H-2,1-benzoxathiol-3-ylidenebis[[6-hydroxy-2-methyl-5-(1-methylethyl)-3,1-phenylene]methylene]]bis[N-(carboxymethyl)-,S,S-dioxide, tetrasodium salt;Methylthymol Blue (6CI);3H-2,1-Benzoxathiole,glycine deriv.;
EINECS: 217-743-3
Density: 1.427g/cm3
Boiling Point: 891.6 °C at 760 mmHg
Flash Point: 493 °C
Solubility: Soluble in water (460 g/L) at 20°C.
Appearance: green-brown crystalline powder
Hazard Symbols: IrritantXi
Risk Codes: 5-36/37/38
Safety: 24/25-36-26-15
PSA: 247.89000
LogP: 4.99540
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    METHYLTHYMOL BLUE

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    FOB Price:  USD $ 0.0-0.0

    factory?direct?saleAppearance:White powder Storage:Sealed and preserved Package:200/Kilograms Application:healing drugs Transportation:By sea Port:Shanghai/tianjin

    Zhejiang Jiuzhou Chemical Co.,Ltd is a market-oriented and innovation-driven biopharmaceutical company. The company is focusing on the R&D, manufacturing and sales of pharmaceutica

  •  ZHEJIANG JIUZHOU CHEM CO.,LTD

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  • Methylthymol Blue sodium salt

  • Casno:

    1945-77-3

    Methylthymol Blue sodium salt

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    Best Seller, High Quality, Competitive Price, Fast Delivery, Quick ResponseAppearance:powder, or liquid Storage:Stored in room temperature, ventilated place Package:Bottle, barrel, cargo, container, etc. Application:Pharmaceuticals, intermediates, AP

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  • Methylthymol Blue, tetrasodium salt from China

  • Casno:

    1945-77-3

    Methylthymol Blue, tetrasodium salt from China

    Min.Order: 1 Kilogram

    FOB Price:  USD $ 0.0-0.0

    Our strength We have clients throughout the world: Professional service and rich experience make customers feel at ease, adequate stock and fast delivery meet your desire. Our Laboratoy We have our own independent lab test center: This ma

    Hebei Luspharm Trading Co., Ltd. is a high-tech enterprise engages in manufacturing and marketing chemicals for international distribution,specialized in APIs, advanced intermediat

  • Hebei Luspharm Trading Co.,Ltd

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Specification

The Methylthymol blue, with the CAS registry number 1945-77-3, is also known as Glycine, N,N'-((1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis((6-hydroxy-2-methyl-5-(1-methylethyl)-3,1-phenylene)methylene))bis(N-(carboxymethyl)-, sodium salt (1:4). It belongs to the product categories of Analytical Chemistry; Chelating Reagents; Complexones; Photometric Reagents (Complexone). Its EINECS registry number is 217-743-3. This chemical's molecular formula is C37H40N2Na4O13S and molecular weight is 844.74. Its IUPAC name is called 2-[[5-[3-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-2-methyl-5-propan-2-ylphenyl]-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2-hydroxy-6-methyl-3-propan-2-ylphenyl]methyl-(carboxymethyl)amino]acetic acid.

Physical properties of Methylthymol blue: (1)ACD/LogP: 5.20; (2)# of Rule of 5 Violations: 4; (3)ACD/LogD (pH 5.5): 0.2; (4)ACD/LogD (pH 7.4): 0.05; (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: 15; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 18; (12)Flash Point: 493 °C; (13)Enthalpy of Vaporization: 135.77 kJ/mol; (14)Boiling Point: 891.6 °C at 760 mmHg; (15)Vapour Pressure: 3.9E-34 mmHg at 25°C.

Preparation of Methylthymol blue: this chemical can be prepared by asia ammonia sodium diethyl and glacial acetic acid. This reaction will need reagents thymol blue, 37% formaldehyde, ethanol, saturated sodium acetate. sodium hydroxide and ether washing.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C(=C(C=C1C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4C)CN(CC(=O)O)CC(=O)O)O)C(C)C)C(C)C)O)CN(CC(=O)O)CC(=O)O
(2)InChI: InChI=1S/C37H44N2O13S/c1-19(2)23-11-28(21(5)25(35(23)48)13-38(15-31(40)41)16-32(42)43)37(27-9-7-8-10-30(27)53(50,51)52-37)29-12-24(20(3)4)36(49)26(22(29)6)14-39(17-33(44)45)18-34(46)47/h7-12,19-20,48-49H,13-18H2,1-6H3,(H,40,41)(H,42,43)(H,44,45)(H,46,47)
(3)InChIKey: KIHCHVIVBXSLBU-UHFFFAOYSA-N