Basic information
- Standard SMILES
CCOC(=O)c1c(CCl)nc2ccccc2c1-c1ccccc1.Cl- InChIKey
ZFQMWRZOUKPJCD-UHFFFAOYSA-N- Molecular formula
- C19H17Cl2NO2
- Average molar mass
- 362.2 g/mol
- Monoisotopic mass
- 361.06363414
Names & identifiers
- Preferred name
- Ethyl 2-(chloromethyl)-4-phenylquinoline-3-carboxylate hydrochloride
- IUPAC
- ethyl 2-(chloromethyl)-4-phenylquinoline-3-carboxylate;hydrochloride
Names & synonyms
ethyl 2-(chloromethyl)-4-phenylquinoline-3-carboxylate hydrochloride126334-84-71009306-55-1MFCD07308434ethyl 2-(chloromethyl)-4-phenylquinoline-3-carboxylate;hydrochloride2-Chloromethyl-4-phenyl-3-quinolinecarboxylic acid ethyl ester hydrochlorideC19H17Cl2NO2DTXSID50596160AKOS016003426SB72790AS-72466SY069674
Show more names
DB-062473EN300-10126F72190F868842ethyl 2-(chloromethyl)-4-phenyl-quinoline-3-carboxylate;hydrochlorideEthyl 2-(chloromethyl)-4-phenylquinoline-3-carboxylate hydrochloride, 97%Ethyl 2-(chloromethyl)-4-phenylquinoline-3-carboxylate--hydrogen chloride (1/1)
Database identifiers
- CAS
126334-84-7- PubChem CID
- 18778106
- DTXSID
DTXSID50596160- EC Number
- 139-107-3
Properties
Computed structural properties
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 397
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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