220515

Methyl benzimidate hydrochloride

97%

• Synonym(s): Benzimidoic acid methyl ester hydrochloride, Methyl benzenecarboximidate hydrochloride
• Linear Formula: C₆H₅C(=NH)OCH₃·HCl
• CAS Number: 5873-90-5
• Molecular Weight: 171.62
• EC Number: 227-537-5
• MDL number: MFCD00012575
• UNSPSC Code: 12352100
• PubChem Substance ID: 24853175
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 97%
• mp: 105-107 °C (dec.) (lit.)
• functional group: ether; phenyl
• storage temp.: −20°C
• SMILES string: Cl.COC(=N)c1ccccc1
• InChI: 1S/C8H9NO.ClH/c1-10-8(9)7-5-3-2-4-6-7;/h2-6,9H,1H3;1H
• InChI key: HDJNHVNQRJMWSH-UHFFFAOYSA-N

Description

Application

Methyl benzimidate hydrochloride was used:

• in the synthesis of chiral phenyldihydroimidazole derivative
• as imidating reagent to modify Lys residues of cyclic Lys-Gly-Asp peptide to afford acetimidate analogs
• in the synthesis of N-benzimidoyl-(1,2-dipalmitoyl-sn-glycero-3-phosphoethanolamine)

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H315,H319,H335
• Precautionary Statements: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves