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37052-78-1

37052-78-1 Structure

37052-78-1 Structure
IdentificationMore
[Name]

5-Methoxy-2-mercaptobenzimidazole
[CAS]

37052-78-1
[Synonyms]

1,3-DIHYDRO-5-METHOXY-2H-BENZIMIDAZOLE-2-THIONE
2-MERCAPTO-5-METHOXY-1H-BENZIMIDAZOLE
2-MERCAPTO-5-METHOXYBENZIMIDAZOLE
5-METHOXY-1H-BENZO[D]IMIDAZOLE-2-THIOL
5-METHOXY-2-BENZIMIDAZOLETHIOL
5-METHOXY-2-MERCAPTOBENZIMIDAZOLE
5-METHOXY-2-THIOBENZIMIDAZOLE
5-Methoxybenzimidazole-2-thiol
H 118/87
LABOTEST-BB LT01596137
TIMTEC-BB SBB000219
5-Methoxye-2-mercaplobenzinidazole
5-methoxy-2(1H)-benzimidazolinethione
5-methoxy-2-thiohydroxy benzimidazole
2-Mercato-5-methoxy benzimidazole
5-METHOXY-2-THIOHYDROXYBENZIMIDAZOLE(INTERMEDIATE OF OMEPRAZOLE)
2-Mercapto-5-MethoxyBenzimidazole(ForOmeprazole)
5-METHOXY-2-BENZIMIDAZOLEETHIOL
2-Mercapto-5-methoxy-1H-benzim
5-Methoxy-2-thiobenzimidazole 99%
[EINECS(EC#)]

253-326-2
[Molecular Formula]

C8H8N2OS
[MDL Number]

MFCD00134581
[Molecular Weight]

180.23
[MOL File]

37052-78-1.mol
Chemical PropertiesBack Directory
[Appearance]

off-white to light yellowish-brown powder
[Melting point ]

261-263 °C(lit.)
[Boiling point ]

309.4±44.0 °C(Predicted)
[density ]

1.2425 (rough estimate)
[vapor pressure ]

0.001Pa at 25℃
[refractive index ]

1.5690 (estimate)
[storage temp. ]

2-8°C
[solubility ]

DMSO (Slightly), Methanol (Sparingly)
[form ]

Powder
[pka]

10.13±0.30(Predicted)
[color ]

Off-white to light yellow-brown
[Water Solubility ]

insoluble
[Sensitive ]

Air Sensitive
[Detection Methods]

HPLC,NMR
[BRN ]

3605123
[InChI]

1S/C8H8N2OS/c1-11-5-2-3-6-7(4-5)10-8(12)9-6/h2-4H,1H3,(H2,9,10,12)
[InChIKey]

KOFBRZWVWJCLGM-UHFFFAOYSA-N
[SMILES]

COc1ccc2[nH]c(S)nc2c1
[LogP]

1.52-2.399
[CAS DataBase Reference]

37052-78-1(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P305+P351+P338
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R37:Irritating to the respiratory system.
R22:Harmful if swallowed.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[REACH Registrations]

Active
[HazardClass ]

IRRITANT
[HS Code ]

29339900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Aquatic Chronic 3
Skin Sens. 1
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

Omeprazole-->Ufiprazole-->2-[(5-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-nitrophenyl)acetamide
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

5-Methoxy-2-benzimidazolethiol(37052-78-1).msds
Questions And AnswerBack Directory
[Description]

2-Mercapto-5-methoxybenzimidazole is used in the preparation of COX-2 inhibitors. It is also employed in the preparation of compounds such as 5-methoxy-2[[(4-methoxy-3, 5-dimethyl-2-pyridinyl) methyl] sulfonyl]-1H-benzimidazole, 5-methoxy-2[[(4-methoxy-3, 5-dimethylpyridin-2-yl-1-oxide) methyl] sulfonyl]-1H-benzimidazole as well as tris[μ-1,2-bis(diphenylphosphino)ethane]-1:2κ2P:P′;1:3κ2P:P′;2:3κ2P:P′-di-μ-bromido-1:2κ4Br:Br-bromido-3κBr-tricopper(I) acetone hemisolvate. Furthermore, it acts as a hetercocyclic building block and serves as an intermediate of drug omeprazole1. Finally, it acts as an intermediate for manufacture of the anti-ulcer drug Omeprazole.
Hazard InformationBack Directory
[Chemical Properties]

off-white to light yellowish-brown powder
[Uses]

Reagent used in the synthesis of COX-2 inhibitors
[General Description]

Pharmaceutical secondary standards for application in quality control provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards
[Flammability and Explosibility]

Notclassified
Spectrum DetailBack Directory
[Spectrum Detail]

2-MERCAPTO-5-METHOXYBENZIMIDAZOLE(37052-78-1)MS
2-MERCAPTO-5-METHOXYBENZIMIDAZOLE(37052-78-1)1HNMR
2-MERCAPTO-5-METHOXYBENZIMIDAZOLE(37052-78-1)13CNMR
2-MERCAPTO-5-METHOXYBENZIMIDAZOLE(37052-78-1)IR1
2-MERCAPTO-5-METHOXYBENZIMIDAZOLE(37052-78-1)IR2
2-MERCAPTO-5-METHOXYBENZIMIDAZOLE(37052-78-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

5-Methoxy-2-mercaptobenzimidazole, 99+%(37052-78-1)
[Alfa Aesar]

2-Mercapto-5-methoxybenzimidazole, 99%(37052-78-1)
[Sigma Aldrich]

37052-78-1(sigmaaldrich)
[TCI AMERICA]

2-Mercapto-5-methoxybenzimidazole,>98.0%(T)(37052-78-1)
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