(3E)-1,1,1-Trichloro-4-ethoxybut-3-en-2-one

C6H7Cl3O2CAS 83124-74-7217.47 g/mol

OOClClCl
AlkeneAlkyl halideEtherKetone

Properties

Molecular formula
C6H7Cl3O2
Molar mass
217.47 g/mol
Exact mass
215.9512 Da
logP
2.48Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3
Double bonds
EE/Z, in SMILES order

Hazards

Danger
Flammable (GHS02)Acute Toxic (GHS06)Irritant (GHS07)Health Hazard (GHS08)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
83124-74-7
SMILES
CCO/C=C/C(=O)C(Cl)(Cl)Cl
InChIKey
VKNLVLNOHCTKII-ONEGZZNKSA-N
InChI
InChI=1S/C6H7Cl3O2/c1-2-11-4-3-5(10)6(7,8)9/h3-4H,2H2,1H3/b4-3+

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Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • 4-Ethoxy-1,1,1-trichloro-3-buten-2-one

Work with (3E)-1,1,1-Trichloro-4-ethoxybut-3-en-2-one

Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue.

Elsewhere