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Cas Database |
| Name |
Dichlormethazanone |
EINECS | N/A |
| CAS No. | 5571-97-1 | Density | 1.476g/cm3 |
| PSA | 62.83000 | LogP | 3.28760 |
| Solubility | N/A | Melting Point |
124.3°C |
| Formula | C11H11Cl2NO3S | Boiling Point | 555.4°C at 760 mmHg |
| Molecular Weight | 308.185 | Flash Point | 289.7°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Dichlormezanone;2-(3,4-dichlorophenyl)-1,1-diketo-3-methyl-1,3-thiazinan-4-one;2-(3,4-dichlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one |
Article Data | 1 |
Dichlormethazanone Chemical Properties
Molecule structure of Dichlormethazanone (CAS NO.5571-97-1):
IUPAC Name: 2-(3,4-Dichlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one
Molecular Weight: 308.18094 g/mol
Molecular Formula: C11H11Cl2NO3S
Density: 1.476 g/cm3
Boiling Point: 555.4 °C at 760 mmHg
Flash Point: 289.7 °C
Index of Refraction: 1.588
Molar Refractivity: 70.3 cm3
Molar Volume: 208.6 cm3
Polarizability: 27.87×10-24 cm3
Surface Tension: 51 dyne/cm
Enthalpy of Vaporization: 83.68 kJ/mol
Vapour Pressure: 2.24E-12 mmHg at 25 °C
XLogP3-AA: 1.7
H-Bond Acceptor: 3
Rotatable Bond Count: 1
Exact Mass: 306.983669
MonoIsotopic Mass: 306.983669
Topological Polar Surface Area: 54.5
Heavy Atom Count: 18
Complexity: 434
Canonical SMILES: CN1C(S(=O)(=O)CCC1=O)C2=CC(=C(C=C2)Cl)Cl
InChI: InChI=1S/C11H11Cl2NO3S/c1-14-10(15)4-5-18(16,17)11(14)7-2-3-8(12)9(13)6-7/h2-3,6,11H,4-5H2,1H3
InChIKey of Dichlormethazanone (CAS NO.5571-97-1): FTBWWORDOHNJDB-UHFFFAOYSA-N
Dichlormethazanone Toxicity Data With Reference
| 1. | orl-rat LD50:1050 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 1 (1959),168. | ||
| 2. | orl-mus LD50:840 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 122 (1957),517. | ||
| 3. | ipr-mus LD50:570 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 1 (1959),168. | ||
| 4. | orl-cat LD50:300 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 1 (1959),168. | ||
| 5. | ipr-cat LD50:400 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 1 (1959),168. |
Dichlormethazanone Safety Profile
Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of Cl−, SOx, and NOx.
Dichlormethazanone Specification
Dichlormethazanone (CAS NO.5571-97-1) is also named as 2-(3,4-Dichlorophenyl)-3-methyl-4-metathiazanone 1,1-dioxide ; 2-(3,4-Dichlorophenyl)-3-methyl-4-metathiazanone-1,1-dioxide ; 2-(3,4-Dichlorophenyl)tetrahydro-3-methyl-4H-1,3-thiazin-4-one, 1,1-dioxide ; 4-Metathiazanone, 2-(3,4-dichlorophenyl)-3-methyl-, 1,1-dioxide ; 4H-1,3-Thiazin-4-one, tetrahydro-2-(3,4-dichlorophenyl)-3-methyl-, 1,1-dioxide ; Dichlormezanone ; Dichlormezanonum ; Dichlormezanonum [INN-Latin] ; Diclormezanona ; Diclormezanona [INN-Spanish] ; NSC 169109 ; UNII-TO4OC41XVI ; WIN 12267 .
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