Molecule structure of N-(1-Formamido-2,2,2-trichloretyl)morfolin (CAS NO.60029-23-4):
IUPAC Name: N-(2,2,2-Trichloro-1-morpholin-4-ylethyl)formamide
Molecular Weight: 261.53344 g/mol
Molecular Formula: C7H11Cl3N2O2
Density: 1.444 g/cm3
Boiling Point: 369.7 °C at 760 mmHg
Flash Point: 177.4 °C
Index of Refraction: 1.528
Molar Refractivity: 55.77 cm3
Molar Volume: 181 cm3
Polarizability: 22.11×10-24 cm3
Surface Tension: 47.6 dyne/cm
Enthalpy of Vaporization: 61.65 kJ/mol
Vapour Pressure: 1.16E-05 mmHg at 25 °C
XLogP3-AA: 1.2
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 2
Tautomer Count: 2
Exact Mass: 259.988611
MonoIsotopic Mass: 259.988611
Topological Polar Surface Area: 41.6
Heavy Atom Count: 14
Complexity: 192
Canonical SMILES: C1COCCN1C(C(Cl)(Cl)Cl)NC=O
InChI: InChI=1S/C7H11Cl3N2O2/c8-7(9,10)6(11-5-13)12-1-3-14-4-2-12/h5-6H,1-4H2,(H,11,13)
InChIKey: IWWKIOTVAJOMJT-UHFFFAOYSA-N
EINECS of N-(1-Formamido-2,2,2-trichloretyl)morfolin (CAS NO.60029-23-4): 262-028-1
1. | orl-rat LD50:990 mg/kg | IAPUDO IARC Publications. 31 (1980),677. | ||
2. | skn-rat LD50:1455 mg/kg | CEHYAN Ceskoslovenska Hygiena. Czechoslovak Hygiene. 25 (1980),179. | ||
3. | ipr-rat LD50:1050 mg/kg | CEHYAN Ceskoslovenska Hygiena. Czechoslovak Hygiene. 25 (1980),179. | ||
4. | orl-mus LD50:1450 mg/kg | CEHYAN Ceskoslovenska Hygiena. Czechoslovak Hygiene. 25 (1980),179. | ||
5. | ipr-mus LD50:880 mg/kg | CEHYAN Ceskoslovenska Hygiena. Czechoslovak Hygiene. 25 (1980),179. |
Moderately toxic by ingestion, skin contact, and intraperitoneal routes. When heated to decomposition it emits toxic vapors of NOx and Cl−.
N-(1-Formamido-2,2,2-trichloretyl)morfolin (CAS NO.60029-23-4) is also named as BRN 0982511 ; CCRIS 3702 ; Fademorf EK 20 ; Fademorf ZK 20 ; N-(2,2,2-Trichloro-1-morpholinoethyl)formamide ; Trimorfamid ; Trimorfamide ; Trimorphamid ; Trimorphamide ; VUAgT 866 ; VUAgT 866/72 ; Formamide, N-(2,2,2-trichloro-1-(4-morpholinyl)ethyl)- ; Formamide, N-(2,2,2-trichloro-1-(morpholinyl)ethyl)- .
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