(E)-1,3-Dichloropropene
PubChem CID: 24726
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| Compound Synonyms | trans-1,3-Dichloropropene, 10061-02-6, (E)-1,3-Dichloropropene, (E)-1,3-Dichloro-1-propene, trans-1,3-Dichloro-1-propene, Telone II, 1,3-Dichloropropylene, Telone, 1-Propene, 1,3-dichloro-, 3-Chloroallyl chloride, 1-Propene, 1,3-dichloro-, (1E)-, (E)-1,3-dichloroprop-1-ene, trans-1,3-Dichloropropylene, Dorlone II, Telone C, Dorlone, Nematox, trans-Telone, 3-Chloropropenyl chloride, 1,3-Dichloro-2-propene, Di-Trapex CP, Telone II-B, (1E)-1,3-dichloroprop-1-ene, 1,3-Dichloropropene-1, Vorlex 201, trans-3-Chloroallyl chloride, Telone II soil fumigant, Propene, 1,3-dichloro-, Telone C17, alpha,gamma-Dichloropropylene, 1,3-Dichloropropene, trans-, E-1,3-Dichloropropene, Tri-Form, D-D 92, Telone EC, Telone IIR, gamma-Chloroallyl chloride, 1,3-Dichloroprop-1-ene, Chloroallyl Chloride, 1,3-Dichloro-1-propylene, Propene, 1,3-dichloro-, (E)-, sJPDADFHRUf`d`, Chloropropenyl chloride, 1-Propene, 1,3-dichloro-, (E)-, Dichloro-1,3 propene, 1,3-Dichloropropene (technical grade), HSDB 1504, (1E)-1,3-dichloro-1-propene, alpha-Chloroallyl chloride, 1,3-Dichloropropene [BSI:ISO], DD 95, NCI-C03985, 1,3-Dichloropropene, cis + trans, chloroallylchloride, UNII-21UG87ODPI, NSC 6202, 1,3-D, Dichloro-1,3 propene [ISO-French], 3-dichloropropylene, Propylene, 1,3-dichloro-, (trans), BRN 1719558, CHEBI:18624, 1,3-D, Dorlone, Telone 2000, alpha-chloroallylchloride, chloroorpropenyl chloride, gamma-chloroallylchloride, .gamma.-Chloroallyl chloride, 21UG87ODPI, 1,3-DICHLOROPROPENE (TELONE II), DTXSID2042480, .alpha.,.gamma.-Dichloropropylene, MFCD00000985, 1,3-DICHLOROPROPENE, (1E)-, 1, 3-Dichloropropene, 1,3-DICHLOROPROPENE (E)-FORM [MI], Caswell No. 324A, RCRA waste number U084, CCRIS 955, Chloroallyl C hloride, Telone II, Technical, HSDB 1109, .alpha.-Chloroallyl chloride, EINECS 208-826-5, Telone II, technical grade (without epichlorohydrin), Telone II, technical grade (with 1% epichlorohydrin), RCRA waste no. U084, DTXSID1022057, EPA Pesticide Chemical Code 029001, BRN 1719556, transTelone, Dedisol, Sepisol, Anema, Dedisol C, TELONE II, TECHNICAL GRADE, D-D92, Telone (van), UNII-9H780918D0, 1,3-Dichlopropene, 1,3-Dichlorpropene, Dichloropropene, 1,3- (Telone II), a,?-Dichloropropylene, 5427-56-5, (E)1,3Dichloropropene, trans1,3Dichloro1propene, trans1,3Dichloropropylene, (E)1,3Dichloro1propene, trans3Chloroallyl chloride, 1,3-Dichloropropene,c&t, trans 1,3-dichloropropene, 1,3Dichloropropene, trans, 1,3-1,3-Dichloropropene, (1E)-1,3-dichloropropene, (alpha)-chloroallyl chloride, (gamma)-chloroallyl chloride, SCHEMBL33876, BIDD:ER0524, Propene, 1,3dichloro, (E), 1,3-Dichloro-1-propene,c&t, (alpha,gamma)-dichloropropylene, 3-D, DCP, CHEMBL155926, DTXCID501307, 1Propene, 1,3dichloro, (E), DTXCID8028131, DTXSID8021307, trans-1,3-dichloro-prop-1-ene, (beta)-epidichlorohydrin cis-trans, D-D95, Propylene, 1,3-dichloro-(trans), Propylene, 1,3dichloro, (trans), Dichloropropene, 1,3-(Telone II), Tox21_200235, c0611, AKOS000120933, 1,3-DICHLOROPROPENE (E)-FORM, FD31019, FD34262, 1,3-Dichloro propylene(trans-: cis-), NCGC00091495-01, NCGC00091495-02, NCGC00257789-01, AS-13194, CAS-542-75-6, 1,3-Dichloro-1-propene (ACD/Name 4.0), 1,3-Dichloropropene, 90%, technical grade, 9H780918D0, D2346, NS00077749, S0639, EN300-20393, A11332, C06609, C18627, trans-1,3-Dichloropropene, analytical standard, Q161507, 1,3-Dichloropropene, cis + trans, analytical standard, 1,3-Dichloropropene, PESTANAL(R), analytical standard, trans-1,3-Dichloropropene, vial of 1 g, analytical standard, 431-460-4, 626-466-0 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 5.0 |
| Description | 1,3-Dichloropropene, also known as Telone or simply 1,3-D, is a colorless liquid with a sweet smell. It exists as a mixture of the geometric isomers cis-1,3-dichloropropene and trans-1,3-dichloropropene. It dissolves in water and evaporates easily. It is used mainly in farming as a pesticide, specifically as a preplant fumigant and nematicide. It widely used in the US and other countries, but in the process of being phased out in the European Union. [HMDB] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 31.9 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q96RI1 |
| Iupac Name | (E)-1,3-dichloroprop-1-ene |
| Prediction Hob | 1.0 |
| Class | Vinyl halides |
| Xlogp | 1.7 |
| Superclass | Organohalogen compounds |
| Subclass | Vinyl chlorides |
| Molecular Formula | C3H4Cl2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UOORRWUZONOOLO-OWOJBTEDSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -3.334 |
| Rotatable Bond Count | 1.0 |
| State | Liquid |
| Logd | 3.757 |
| Synonyms | «gamma»-chloroallyl chloride, (1E)-1,3-Dichloro-1-propene, (1E)-1,3-dichloroprop-1-ene, (alpha,gamma)-Dichloropropylene, (alpha)-Chloroallyl chloride, (beta)-Epidichlorohydrin cis-trans, (E)-1,3-Dichloro-1-propene, (E)-1,3-Dichloropropene, (gamma)-Chloroallyl chloride, 1, 3-Dichloropropene, 1,3-D, Dorlone, 1,3-Dichlopropene, 1,3-Dichloro-1-Propene, 1,3-dichloro-1-propene (ACD/Name 4.0), 1,3-Dichloro-1-propylene, 1,3-Dichloro-2-propene, 1,3-Dichloroprop-1-ene, 1,3-Dichloropropene (mixed isomers), 1,3-Dichloropropene (mixed), 1,3-Dichloropropene (technical grade), 1,3-DICHLOROPROPENE (TELONE II), 1,3-Dichloropropene [BSI:ISO], 1,3-Dichloropropene-1, 1,3-Dichloropropylene, 2,3-DICHLOROPROPENE, 3-Chloroallyl chloride, 3-Chloropropenyl chloride, 3-dichloropropylene, a-chloroallyl chloride, a,«gamma»-dichloropropylene, Alpha-chloroallyl chloride, Alpha-chloroallylchloride, Alpha,gamma-dichloropropylene, Anema, b-epidichlorohydrin cis-trans, Chloroallyl chloride, Chloroallylchloride, Chloroorpropenyl chloride, Chloropropenyl chloride, Cis-dichloropropene, D-D 92, D-d mixture, Dedisol, Di-trapex CP, Dichloro-1,3 propene, Dichloro-1,3 propene [ISO-French], Dichloropropene, Dichloropropene, 1,3- (Telone II), Dorlone, Dorlone II, E-1,3-Dichloropropene, Gamma-chloroallyl chloride, Gamma-chloroallylchloride, Nematox, Nemex, Sepisol, Sjpdadfhruf`d`, Telone, Telone (van), Telone 2000, Telone c, Telone C17, Telone ec, Telone II, Telone II soil fumigant, Telone II-b, Telone IIr, trans-1,3-Dichloro-1-propene, trans-1,3-Dichloropropene, trans-1,3-Dichloropropylene, trans-3-Chloroallyl chloride, Trans-telone, Tri-form, Vidden d, Vorlex 201, Zoba eg |
| Substituent Name | Chloroalkene, Haloalkene, Vinyl chloride, Hydrocarbon derivative, Organochloride, Alkyl halide, Alkyl chloride, Aliphatic acyclic compound |
| Compound Name | (E)-1,3-Dichloropropene |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 109.969 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 109.969 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 110.97 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.7472202000000001 |
| Inchi | InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1+ |
| Smiles | C(/C=C/Cl)Cl |
| Nring | 7.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Anemarrhena Asphodeloides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all