(3E)-1,1,1-Trichloro-4-ethoxybut-3-en-2-one
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
- H226 Flammable liquid and vapor50% of notifiers
- H227 Combustible liquid50% of notifiers
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin50% of notifiers
- H315 Causes skin irritation100% of notifiers
- H317 May cause an allergic skin reaction50% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H330 Fatal if inhaled50% of notifiers
- H332 Harmful if inhaled50% of notifiers
- H335 May cause respiratory irritation50% of notifiers
- H372 Causes damage to organs through prolonged or repeated exposure50% of notifiers
- H412 Harmful to aquatic life with long lasting effects50% of notifiers
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
83124-74-7SMILES
CCO/C=C/C(=O)C(Cl)(Cl)ClInChIKey
VKNLVLNOHCTKII-ONEGZZNKSA-NInChI
InChI=1S/C6H7Cl3O2/c1-2-11-4-3-5(10)6(7,8)9/h3-4H,2H2,1H3/b4-3+Weigh it out
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
4-Ethoxy-1,1,1-trifluoro-3-buten-2-one17129-06-563 % similar
(3E)-4-Ethoxy-1,1,1-trifluoro-3-buten-2-one59938-06-663 % similar
3-Ethoxy-2-propenoyl chloride6191-99-753 % similar
(E)-3-Ethoxyacrylic acid6192-01-453 % similar
Ethyl 3-ethoxy-2-propenoate1001-26-950 % similar
Ethyl (2E)-3-ethoxy-2-propenoate5941-55-950 % similar
Ethyl trichloroacetate515-84-447 % similar
Diethyl maleate141-05-938 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.