Anodyne| DDT | |
|---|---|
| Molecular structure via molpic based on CDK |
| Rotamer [] | |
|---|---|
| Physical properties [] | |
|---|---|
| Molecular mass | 354.5 g/mol [1] |
| Density | 1.56 at 59 °F (USCG, 1999) - Denser than water; will sink g/cm3 [1] |
| Appearance | Biaxial elongated tablets, needles from 95% alcohol [1] |
| Odor | Odorless or with slight aromatic odor [1] |
| Melting point | 227 to 228 °F (NTP, 1992) [1] |
| Boiling point | 500 ° [1] |
| Decomposition | Decomp at 110 °C; dehydrochlorinates in alkali or org bases when in org solvents [1] |
| Solubility | less than 1 mg/mL at 70 °F (NTP, 1992) [1] |
| Predicted LogP | 6.9 [1] |
| Structural Identifiers [] | |
|---|---|
| Molecular formula | C14H9Cl5 [1] |
| IUPAC name | 1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene [1] |
| SMILES | C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl)Cl [1] |
| 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 [1] |
| InChIKey | YVGGHNCTFXOJCH-UHFFFAOYSA-N [1] |
| Toxicity [] | |
|---|---|
| TDLo | Human - male: - oral: 6 mg/kg Human: - oral: 16 mg/kg - oral: 5 mg/kg |
| LDLo | Human - infant: - oral: 150 mg/kg Human: - oral: 500 mg/kg Dog: - intravenous: 75 mg/kg Monkey: - intravenous: 50 mg/kg Cat: - oral: 250 mg/kg - intravenous: 40 mg/kg Rabbit: - intravenous: 50 mg/kg Chicken: - oral: 300 mg/kg Domestic animals - goat/sheep: - oral: 300 mg/kg |
| LD50 | Rat: - oral: 87 mg/kg - skin: 1931 mg/kg - intraperitoneal: 9100 μg/kg - subcutaneous: 1500 mg/kg Mouse: - oral: 135 mg/kg - intraperitoneal: 32 mg/kg Dog: - oral: 150 mg/kg Monkey: - oral: 200 mg/kg Rabbit: - oral: 250 mg/kg - skin: 300 mg/kg - subcutaneous: 250 mg/kg Guinea pig: - oral: 150 mg/kg - skin: 1 gm/kg - subcutaneous: 900 mg/kg Hamster: - oral: >5 gm/kg Frog: - oral: 7600 μg/kg - parenteral: 24100 μg/kg |
Dichlorodiphenyltrichloroethane
Dichlorodiphenyltrichloroethane (also known as 1-Chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene, 1-Chloro-4-(2,2,2-trichloro-1-(4-chlorophenyl)ethyl)benzene, RefChem:127031, Clofenotane, p,p'-DDT, Chlorophenothane, 4,4'-DDT, Dicophane, DDT or Chlorphenothan) is a
Chemistry
Stereochemistry []
Dichlorodiphenyltrichloroethane is a achiral mixture
See also []
External links []
- Dichlorodiphenyltrichloroethane (Wikipedia)
- Dichlorodiphenyltrichloroethane (Wikidata)
- Dichlorodiphenyltrichloroethane (DrugBank)
- Dichlorodiphenyltrichloroethane (PubChem)
- Dichlorodiphenyltrichloroethane (ChEMBL)
- Dichlorodiphenyltrichloroethane (ChEBI)
- Dichlorodiphenyltrichloroethane (Common Chemistry)
- Dichlorodiphenyltrichloroethane (HMDB)
- Dichlorodiphenyltrichloroethane (KEGG)
- Dichlorodiphenyltrichloroethane (UNII)
- Dichlorodiphenyltrichloroethane (EPA DSSTox)
References []
National Center for Biotechnology Information. PubChem Compound Summary for CID 3036, Dichlorodiphenyltrichloroethane. Accessed September 13, 2025. https://pubchem.ncbi.nlm.nih.gov/compound/3036
U.S. Food and Drug Administration; National Center for Advancing Translational Sciences. Dichlorodiphenyltrichloroethane. UNII: CIW5S16655. Global Substance Registration System. Accessed September 13, 2025. https://gsrs.ncats.nih.gov/ginas/app/beta/substances/CIW5S16655