Basic information
- Standard SMILES
CCOC(=N)c1ccccc1.Cl- InChIKey
MODZVIMSNXSQIH-UHFFFAOYSA-N- Molecular formula
- C9H12ClNO
- Average molar mass
- 185.65 g/mol
- Monoisotopic mass
- 185.06074168
Names & identifiers
- Preferred name
- Benzenecarboximidic acid, ethyl ester, hydrochloride (1:1)
- IUPAC
- ethyl benzenecarboximidate;hydrochloride
Names & synonyms
5333-86-8Ethyl iminobenzoate hydrochlorideBenzenecarboximidic acid, ethyl ester, hydrochlorideEthyl benzylimidate hydrochlorideBenzimido ethyl ether hydrochlorideNSC 2354Benzimidoyl ethyl ether hydrochlorideEINECS 226-248-1Benzimidic acid, ethyl ester, hydrochlorideDTXSID4063791Benzenecarboximidic acid, ethyl ester, hydrochloride (1:1)RefChem:117389
Show more names
DTXCID8041404226-248-1Ethyl benzimidate hydrochlorideEthyl benzimidate HClethyl benzenecarboximidate hydrochlorideMFCD00043246NSC-2354NSC2354
Database identifiers
- CAS
5333-86-8- PubChem CID
- 79249
- DTXSID
DTXSID4063791- UNII
- SWZ9GU8WBL
- EC Number
- 226-248-1
Properties
Computed structural properties
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 128
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 11 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenecarboximidic acid, ethyl ester, hydrochloride (1:1): ACTIVE
Related reactions
32 records
Linked notes
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