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220515

Methyl benzimidate hydrochloride

97%

Synonym(s):

Benzimidoic acid methyl ester hydrochloride, Methyl benzenecarboximidate hydrochloride

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About This Item

Linear Formula:
C6H5C(=NH)OCH3·HCl
CAS Number:
5873-90-5
Molecular Weight:
171.62
NACRES:
NA.22
PubChem Substance ID:
24853175
UNSPSC Code:
12352100
EC Number:
227-537-5
MDL number:
MFCD00012575
Assay:
97%
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Quality Segment

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

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)

Signal Word

Warning

Pictograms

Exclamation mark
GHS07

Hazard Codes

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class

11 - Combustible Solids

WGK

WGK 3

Flash Point (°F)

Not applicable

Flash Point (°C)

Not applicable

PPE (personal protective equipment)

dust mask type N95 (US), Eyeshields, Gloves

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