Ddt

CAS: 50-29-3 · C14H9Cl5

2D Structure

3D Structure

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Basic Information

CAS Registry Number: 50-29-3
Molecular Formula: C14H9Cl5
Molecular Mass: 354.49 g/mol

Identifiers

CAS Registry Number

50-29-3

SMILES

Clc1ccc(C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1

InChI Key

YVGGHNCTFXOJCH-UHFFFAOYSA-N

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

Names and Synonyms

Ddt Common Name
Benzene, 1,1′-(2,2,2-trichloroethylidene)bis[4-chloro- Synonym
Ethane, 1,1,1-trichloro-2,2-bis(p-chlorophenyl)- Synonym
1,1′-(2,2,2-Trichloroethylidene)bis[4-chlorobenzene] Synonym
Arkotine Synonym
α,α-Bis(p-chlorophenyl)-β,β,β-trichlorethane Synonym
2,2-Bis(p-chlorophenyl)-1,1,1-trichloroethane Synonym
Chlorophenothane Synonym
DDT Synonym
p,p′-DDT Synonym
4,4′-Dichlorodiphenyltrichloroethane Synonym
Dicophane Synonym
p,p′-Dichlorodiphenyltrichloroethane Synonym
Estonate Synonym
Gesafid Synonym
Gesarol Synonym
Neocid Synonym
Pentachlorin Synonym
Trichlorobis(4′-chlorophenyl)ethane Synonym
1,1,1-Trichloro-2,2-bis(p-chlorophenyl)ethane Synonym
Zerdane Synonym
Agritan Synonym
Azotox M 33 Synonym
Citox Synonym
4,4′-DDT Synonym
Dykol Synonym
Clofenotan Synonym
ENT-1506 Synonym
Ethane, 1,1,1-trichloro-2,2-bis(4-chlorophenyl)- Synonym
1,1-Bis(p-chlorophenyl)-2,2,2-trichloroethane Synonym
Detoxan Synonym
Clofenotane Synonym
Aavero-extra Synonym
Chlorphenothan Synonym
Deoval Synonym
Mutoxan Synonym
PEB1 Synonym
Penticidum Synonym
Dodat Synonym
Bosan supra Synonym
Bovidermol Synonym
Ivoran Synonym
Chlorphenotoxum Synonym
Parachlorocidum Synonym
Dibovin Synonym
Neocidol (solid) Synonym
Tafidex Synonym
2,2,2-Trichloro-1,1-bis(4-chlorophenyl)ethane Synonym
p,p′-Dichlorodiphenyltrichloromethylmethane Synonym
Neocidol Synonym
1,1-Bis(4-chlorophenyl)-2,2,2-trichloroethane Synonym
Hildit Synonym
Benzochloryl Synonym
1,1,1-Trichloro-2,2-di(p-chlorophenyl)ethane Synonym
Detox (pesticide) Synonym
Gesarex Synonym
Gesapon Synonym
Guesapon Synonym
Dicophaner Synonym
NSC 8939 Synonym
o,p′-1,1,1-Trichloro-2-2,2-bis(p-chlorophenyl)ethane Synonym
FWJ Synonym
Dichlorodiphenyltrichloroethane Synonym
1,1,1-Trichloro-2-2,2-bis(p-chlorophenyl)ethane Synonym
2,2-Bis(4-chlorophenyl)-1,1,1-trichloroethane Synonym
Detox Synonym
Para-Para DDT Synonym

All Properties

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	354.49 g/mol	CAS Common Chemistry
	354.491 g/mol	RDKit
	354.476 g/mol	chempirical lib
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 Å²	RDKit
LogP	6.495500000000002	RDKit
	6.4955	RDKit
	5.91	chempirical lib
Molar Refractivity	85.03700000000002 cm³/mol	RDKit
Ring Count	2	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.1429	RDKit
	0.14	chempirical lib
Exact Mass	351.914688688 g/mol	RDKit

Spectral Data

NMR, IR, and Mass spectral data

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.

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MW = 354.49 g/mol. Edit any field — others recompute live.

Mass (g) Moles (mmol) Moles (mol)

Ddt