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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 Mass:
354.49 g/mol
Names and Synonyms:
Ddt
Benzene, 1,1′-(2,2,2-trichloroethylidene)bis[4-chloro-
Ethane, 1,1,1-trichloro-2,2-bis(p-chlorophenyl)-
1,1′-(2,2,2-Trichloroethylidene)bis[4-chlorobenzene]
Arkotine
α,α-Bis(p-chlorophenyl)-β,β,β-trichlorethane
2,2-Bis(p-chlorophenyl)-1,1,1-trichloroethane
Chlorophenothane
DDT
p,p′-DDT
4,4′-Dichlorodiphenyltrichloroethane
Dicophane
p,p′-Dichlorodiphenyltrichloroethane
Estonate
Gesafid
Gesarol
Neocid
Pentachlorin
Trichlorobis(4′-chlorophenyl)ethane
1,1,1-Trichloro-2,2-bis(p-chlorophenyl)ethane
Zerdane
Agritan
Azotox M 33
Citox
4,4′-DDT
Dykol
Clofenotan
ENT-1506
Ethane, 1,1,1-trichloro-2,2-bis(4-chlorophenyl)-
1,1-Bis(p-chlorophenyl)-2,2,2-trichloroethane
Detoxan
Clofenotane
Aavero-extra
Chlorphenothan
Deoval
Mutoxan
PEB1
Penticidum
Dodat
Bosan supra
Bovidermol
Ivoran
Chlorphenotoxum
Parachlorocidum
Dibovin
Neocidol (solid)
Tafidex
2,2,2-Trichloro-1,1-bis(4-chlorophenyl)ethane
p,p′-Dichlorodiphenyltrichloromethylmethane
Neocidol
1,1-Bis(4-chlorophenyl)-2,2,2-trichloroethane
Hildit
Benzochloryl
1,1,1-Trichloro-2,2-di(p-chlorophenyl)ethane
Detox (pesticide)
Gesarex
Gesapon
Guesapon
Dicophaner
NSC 8939
o,p′-1,1,1-Trichloro-2-2,2-bis(p-chlorophenyl)ethane
FWJ
Dichlorodiphenyltrichloroethane
1,1,1-Trichloro-2-2,2-bis(p-chlorophenyl)ethane
2,2-Bis(4-chlorophenyl)-1,1,1-trichloroethane
Detox
Para-Para DDT
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
Key Properties
Boiling Point
260 °C
CAS Common Chemistry
Melting Point
108.5 °C
CAS Common Chemistry
Density
0.98-0.99 g/cm3
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 354.49 g/mol | CAS Common Chemistry |
| 354.491 g/mol | RDKit | |
| 351.914688688 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/DDT | CAS Common Chemistry |
| Boiling Point | 260 °C | CAS Common Chemistry |
| Canonical SMILES | ClC1=CC=C(C=C1)C(C2=CC=C(Cl)C=C2)C(Cl)(Cl)Cl | CAS Common Chemistry |
| Density | 0.98-0.99 g/cm3 | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=YVGGHNCTFXOJCH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 108.5 °C | CAS Common Chemistry |
| Name | DDT | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 6.495500000000002 | RDKit |
| Molar Refractivity | 85.03700000000002 | RDKit |
