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MethylBenzimidazole-5-carboxylate

MethylBenzimidazole-5-carboxylate structure

CAS No:
26663-77-4
Formula:
C9H8N2O2
Chemical Name:
MethylBenzimidazole-5-carboxylate
Synonyms:
METHYL BENZIMIDAZOLE-5-CARBOXYLATE;METHYL 1H-BENZIMIDAZOLE-5-CARBOXYLATE;AKOS BBS-00000245;1H-Benzimidazole-5-carboxylicacid,methylester(9CI);methyl 1H-benzo[d]imidazole-5-carboxylate;1H-Benzimidazole-5-carboxylic acid methyl ester;1H-BenziMidazole-6-carboxylic Acid Methyl Ester;5-(Methoxycarbonyl)benziMidazole
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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MethylBenzimidazole-5-carboxylate Basic Attributes

Molecular Weight：

176.17

Exact Mass：

176.058577502

DSSTox ID：

DTXSID80381526

HScode：

2933990090

Characteristics

PSA：

54.98000

XLogP3：

1.34950

Density：

1.324±0.06 g/cm3

Melting Point：

139 °C

Boiling Point：

416.2±18.0 °C(Predicted)

Flash Point：

205.5ºC

Refractive Index：

1.648

Vapor Pressure：

3.9E-07mmHg at 25°C

PKA：

11.67±0.10

Safety Information

safety instructions：

S24/25

Marks：

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

MethylBenzimidazole-5-carboxylate Use and Manufacturing

Methyl Benzimidazole-5-carboxylate can be used as an intermediate used for the synthesis of a number of bioisosteric benzimidazoles as inhibitors of human cytosolic phospholipase A2α.

Computed Properties

Molecular Weight:176.17
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:176.058577502
Monoisotopic Mass:176.058577502
Topological Polar Surface Area:55
Heavy Atom Count:13
Complexity:208
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of MethylBenzimidazole-5-carboxylate

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Latest News
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