CAS No.40828-54-4,1H-BENZIMIDAZOLE-2-SULFONIC ACID Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	40828-54-4
Name:	1H-BENZIMIDAZOLE-2-SULFONIC ACID
Article Data:	4

Formula:	C₇H₆N₂O₃S
Molecular Weight:	198.202
Synonyms:	2-Benzimidazolesulfonicacid (6CI,7CI);1H-Benzimidazole-2-sulfonic acid;1H-benzo[d]imidazole-2-sulfonic acid;benzimidazole-2-sulfonic acid;
Density:	1.681 g/cm³
Melting Point:	116-119 °C(lit.)
Appearance:	white to light beige crystalline powder
Hazard Symbols:	C
Risk Codes:	34
Safety:	26-36/37/39-45
Transport Information:	UN 3261 8/PG 2
PSA:	91.43000
LogP:	1.89040

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Specification

The CAS register number of 1H-Benzimidazole-2-sulfonicacid is 40828-54-4. It also can be called as benzimidazole-2-sulfonic acid and the systematic name about this chemical is 1H-benzimidazole-2-sulfonic acid. The molecular formula about this chemical is C₇H₆N₂O₃S and the molecular weight is 198.2. It belongs to the following product categories which include Benzimidazole; Imidazoles & Benzimidazoles; Benzimidazoles; Building Blocks; Heterocyclic Building Blocks and so on.

Physical properties about 1H-Benzimidazole-2-sulfonicacid are: (1)ACD/LogP: 0.84; (2)ACD/LogD (pH 5.5): -2.58; (3)ACD/LogD (pH 7.4): -2.66; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 71.56Å²; (12)Index of Refraction: 1.716; (13)Molar Refractivity: 46.38 cm³; (14)Molar Volume: 117.8 cm³; (15)Polarizability: 18.38x10^-24cm³; (16)Surface Tension: 89 dyne/cm.

Preparation: this chemical can be prepared by 1,3-dihydro-benzoimidazole-2-thione. This reaction will need reagent KMnO₄.

Uses of 1H-Benzimidazole-2-sulfonicacid: it can be used to produce 2-morpholin-4-yl-1H-benzoimidazole with morpholine at heating. This reaction time is 3 hours. The yield is about 40%.

When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: [O-]S(=O)(=O)c2[nH+]c1ccccc1n2
(2)InChI: InChI=1/C7H6N2O3S/c10-13(11,12)7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H,8,9)(H,10,11,12)
(3)InChIKey: GWXQTTKUYBEZBP-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C7H6N2O3S/c10-13(11,12)7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H,8,9)(H,10,11,12)
(5)Std. InChIKey: GWXQTTKUYBEZBP-UHFFFAOYSA-N