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Ddt
CAS: 50-29-3 | C14H9Cl5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
50-29-3
Molecular Formula:
C14H9Cl5
Molecular Weight:
354.491 g/mol
Names and Synonyms:
Ddt
Gesafid
Para-Para DDT
Detox
2,2-Bis(4-chlorophenyl)-1,1,1-trichloroethane
1,1,1-Trichloro-2-2,2-bis(p-chlorophenyl)ethane
Dichlorodiphenyltrichloroethane
FWJ
o,p′-1,1,1-Trichloro-2-2,2-bis(p-chlorophenyl)ethane
NSC 8939
Dicophaner
Guesapon
Gesapon
Gesarex
Detox (pesticide)
1,1,1-Trichloro-2,2-di(p-chlorophenyl)ethane
Benzochloryl
Hildit
1,1-Bis(4-chlorophenyl)-2,2,2-trichloroethane
Neocidol
p,p′-Dichlorodiphenyltrichloromethylmethane
2,2,2-Trichloro-1,1-bis(4-chlorophenyl)ethane
Tafidex
Neocidol (solid)
Dibovin
Parachlorocidum
Chlorphenotoxum
Ivoran
Bovidermol
Bosan supra
Dodat
Penticidum
PEB1
Mutoxan
Deoval
Chlorphenothan
Aavero-extra
Clofenotane
Detoxan
1,1-Bis(p-chlorophenyl)-2,2,2-trichloroethane
Ethane, 1,1,1-trichloro-2,2-bis(4-chlorophenyl)-
ENT-1506
Clofenotan
Dykol
4,4′-DDT
Citox
Azotox M 33
Agritan
Zerdane
1,1,1-Trichloro-2,2-bis(p-chlorophenyl)ethane
Trichlorobis(4′-chlorophenyl)ethane
Pentachlorin
Neocid
Gesarol
Estonate
p,p′-Dichlorodiphenyltrichloroethane
Dicophane
4,4′-Dichlorodiphenyltrichloroethane
p,p′-DDT
DDT
Chlorophenothane
2,2-Bis(p-chlorophenyl)-1,1,1-trichloroethane
α,α-Bis(p-chlorophenyl)-β,β,β-trichlorethane
Arkotine
1,1′-(2,2,2-Trichloroethylidene)bis[4-chlorobenzene]
Ethane, 1,1,1-trichloro-2,2-bis(p-chlorophenyl)-
Benzene, 1,1′-(2,2,2-trichloroethylidene)bis[4-chloro-
Identifiers:
SMILES:
Clc1ccc(C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1
InChI:
InChI=1S/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 354.49 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/DDT | Legacy Database | |
| cas-boiling-point | 260 °C | Legacy Database | |
| cas-canonical-smile | ClC1=CC=C(C=C1)C(C2=CC=C(Cl)C=C2)C(Cl)(Cl)Cl | Legacy Database | |
| cas-density | 0.98-0.99 g/cm3 | Legacy Database | |
| cas-inchi | InChI=1S/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H | Legacy Database | |
| cas-inchi-key | InChIKey=YVGGHNCTFXOJCH-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 108.5 °C | Legacy Database | |
| cas-name | DDT | Legacy Database | |
| wikipedia-name | DDT | Legacy Database | |
| LogP | 6.495500000000002 | RDKit | |
| Molecular | Molecular Weight | 354.491 g/mol | RDKit |
| Exact | Exact Molecular Weight | 351.914688688 g/mol | RDKit |
| Heavy | Heavy Atom Count | 19 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit | |
| Rotatable | Rotatable Bonds | 2 count | RDKit |
| Aromatic | Aromatic Ring Count | 2 count | RDKit |
| Topological | Topological Polar Surface Area | 0.0 Ų | RDKit |
| Molar | Molar Refractivity | 85.03700000000002 | RDKit |
