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| Name |
Chloraniformethane |
EINECS | 244-084-9 |
| CAS No. | 20856-57-9 | Density | 1.629g/cm3 |
| PSA | 41.13000 | LogP | 4.94740 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C9H7 Cl5 N2 O | Boiling Point | 524.3°Cat760mmHg |
| Molecular Weight | 336.432 | Flash Point | 270.9°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by ingestion. A pesticide. When heated to decomposition it emits very toxic fumes of Cl− and NOx. See also ALDEHYDES. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Formamide,N-[2,2,2-trichloro-1-(3,4-dichloroanilino)ethyl]- (8CI);1-(3,4-Dichloroanilino)-1-formylamino-2,2,2-trichloroethane; BAY 79770;Chloraniformethan; Chloraniformethane; Imugan; Milfaron;N-[2,2,2-Trichloro-1-(3,4-dichloroanilino)ethyl]formamide |
Chloraniformethane Chemical Properties
IUPAC Name: N-[2,2,2-trichloro-1-(3,4-dichloroanilino)ethyl]formamide
Empirical Formula: C9H7Cl5N2O
Molecular Weight: 336.4297g/mol
XLogP3-AA: 5.1
H-Bond Donor: 2
H-Bond Acceptor: 2
Rotatable Bond Count: 3
Tautomer Count: 2
Exact Mass: 335.897151
MonoIsotopic Mass: 333.900101
Topological Polar Surface Area: 41.1
Heavy Atom Count: 17
Formal Charge: 0
Complexity: 260
Index of Refraction: 1.626
Molar Refractivity: 73.17 cm3
Molar Volume: 206.5 cm3
Polarizability: 29×10-24cm3
Surface Tension: 54.8 dyne/cm
Density: 1.629 g/cm3
Flash Point: 270.9 °C
Enthalpy of Vaporization: 79.82 kJ/mol
Boiling Point: 524.3 °C at 760 mmHg
Vapour Pressure: 4.35E-11 mmHg at 25°C
Canonical SMILES: C1=CC(=C(C=C1NC(C(Cl)(Cl)Cl)NC=O)Cl)Cl
InChI: InChI=1S/C9H7Cl5N2O/c10-6-2-1-5(3-7(6)11)16-8(15-4-17)9(12,13)14/h1-4,8,16H,(H,15,17)
InChIKey: REEFSLKDEDEWAO-UHFFFAOYSA-N
Structure of Chloraniformethane (CAS NO.20856-57-9):
Chloraniformethane Toxicity Data With Reference
| 1. | orl-rat LD50:2500 mg/kg | 85ARAE Agricultural Chemicals, Books I, II, III, and IV. 4 (1976/77),129. | ||
| 2. | orl-gpg LD50:250 mg/kg | 85DPAN Wirksubstanzen der Pflanzenschutz und Schadlingsbekampfungsmittel Werner Perkow,Berlin, Germany.: Verlag Paul Parey,1971/76. |
Chloraniformethane Safety Profile
Poison by ingestion. A pesticide. When heated to decomposition it emits very toxic fumes of Cl− and NOx. See also ALDEHYDES.
Chloraniformethane Specification
Chloraniformethane , its cas register number is 20856-57-9. It also can be called 1-(3,4-Dichloranilino)-1-formylamino-2,2,2-trichloraethan ; Imugan ; Milfaron ; N-(2,2,2-Trichloro-1-(3,4-dichloroanilino)ethyl)formamide and N-Formyl-N'-(3',4'-dichlorphenyl)-2,2,2-trichloracetaldehydam .When heated to decomposition it emits very toxic fumes of Cl− and NOx.
The storage environment of Chloraniformethane (CAS NO.20856-57-9) should be ventilate, low-temperature and dry.
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