CAS 27472-20-4 4-Chloromethyl-1,2-diethoxy-benzene (HCID 2434831)

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Basic information

CAS: 27472-20-4
Standard SMILES: CCOc1ccc(CCl)cc1OCC
InChIKey: TXBSWQWDLFJQMU-UHFFFAOYSA-N
Molecular formula: C11H15ClO2
Average molar mass: 214.69 g/mol
Monoisotopic mass: 214.0760574

Names & identifiers

Preferred name: 4-Chloromethyl-1,2-diethoxy-benzene
IUPAC: 4-(chloromethyl)-1,2-diethoxybenzene
English name: 4-CHLOROMETHYL-1,2-DIETHOXY-BENZENE
Molecular formula: C11H15ClO2
Molecular weight: 214.69

Names & synonyms

27472-20-44-(chloromethyl)-1,2-diethoxybenzene4-Chloromethyl-1,2-diethoxy-benzeneDrotaverine Impurity 18Drotaverin Impurity 38Enamine_0055003,4-diethoxybenzyl chlorideSCHEMBL2022558DTXSID20368654TXBSWQWDLFJQMU-UHFFFAOYSA-NHMS1409J22CBA47220

Show more names

Benzene, 4-(chloromethyl)-1,2-diethoxy-Drotaverine Impurity 22

AKOS000122434EN300-05663

Database identifiers

CAS: 27472-20-4
PubChem CID: 2434831
DTXSID: DTXSID20368654
EC Number: 178-719-5

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 14
Formal charge: 0
Complexity: 152

Physicochemical properties

Melting point: 126 · 126-127 °C
Boiling point: 294.4 · 294.4±25.0 °C(Predicted)
Density: 1.083 · 1.083±0.06 g/cm3(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, 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.