Methyl benzimidate

HCID 345018

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Basic information

CAS: 7471-86-5
Standard SMILES: COC(=N)c1ccccc1
InChIKey: SISQKQNJHCDULL-UHFFFAOYSA-N
Molecular formula: C8H9NO
Average molar mass: 135.16 g/mol
Monoisotopic mass: 135.06841391

Names & identifiers

Preferred name: Methyl benzimidate
IUPAC: methyl benzenecarboximidate
English name: Benzenecarboximidic acid methyl ester
Molecular formula: C8H9NO
Molecular weight: 135.16

Names & synonyms

7471-86-5METHYL BENZIMIDATEmethyl benzenecarboximidateBenzenecarboximidic acid methyl esterBenzenecarboximidicacid, methyl esterMFCD02728616Methyl benzoate, imineBenzimidic acid methyl estermethylbenzimidateMethyl benzenecarboximidoate #SCHEMBL441069SCHEMBL3390194

Show more names

Benzenecarboximidic Acid Methyl Ester(WXC04573)

SCHEMBL6570211SCHEMBL6572006DTXSID10322881ALBB-033150NSC402222AKOS009156967NSC-402222AS-63280

Database identifiers

CAS: 7471-86-5
PubChem CID: 345018
DTXSID: DTXSID10322881
EC Number: 820-214-5
Nikkaji: J215.736E

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 33.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 116

Physicochemical properties

Symbol(GHS): 7 · GHS07,GHS06
Signal word: Danger
Hazard statements: 317 · H317-H315-H319-H332-H311
Precautionary statements: 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P361-P363-P405-P501

Safety & regulation

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS06
Hazard statements: H317-H315-H319-H332-H311
Precautionary statements: P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P361-P363-P405-P501