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2921-31-5

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Basic Information
CAS No.: 2921-31-5
Name: ENT 23,970
Molecular Structure:
Molecular Structure of 2921-31-5 (ENT 23,970)
Formula: C8H14 Cl O2 P S
Molecular Weight: 240.691
Synonyms: Cyclohexanemethanol,2-hydroxy-a-methyl-, cyclic O,O-ester withphosphorochloridothioic acid (7CI); Cyclohexanemethanol, 2-hydroxy-a-methyl-, cyclicphosphorochloridothioate (6CI); Phosphorochloridothioic acid, cyclicO,O-(1,2-cyclohexyleneethylidene) ester (8CI);3-Chloro-5-methyl-3-thio-2,4-dioxa-3-phosphabicyclo[4.4.0]decane; P-Chloro-2,4-dioxa-5-methyl-P-thiono-3-phosphabicyclo(4.4.0)decane;Phosphorochloridothioic acid, cyclic O,O-(1,2-cyclohexanediylethylidene) ester;UC 16888; UC 8305; Union Carbide 8305
Density: 1.31g/cm3
Boiling Point: 293.6°C at 760 mmHg
Flash Point: 131.4°C
Safety: Poison by ingestion and skin contact. A skin irritant. When heated to decomposition it emits toxic fumes of Cl−, SOx, and POx.
PSA: 60.36000
LogP: 4.09440
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Chemistry

IUPAC Name: 4-Chloro-2-methyl-4-sulfanylidene-3,5-dioxa-4λ5-phosphabicyclo[4.4.0]decane
Synonyms of p-Chloro-2,4-dioxa-5-methyl-p-thiono-3-phosphabicyclo(4.4.0)decane (CAS NO.2921-31-5) : 3-Phosphabicyclo(4.4.0)decane, P-chloro-2,4-dioxa-5-methyl-P-thiono- ; Cyclic phosphorochloridothioic acid ; P-Chloro-2,4-dioxa-5-methyl-P-thiono-3-phosphabicyclo(4.4.0)decane
InChI:InChI=1/C8H14ClO2PS/c1-6-7-4-2-3-5-8(7)11-12(9,13)10-6/h6-8H,2-5H2,1H3
CAS NO: 2921-31-5
Molecular Formula:C8H14ClO2PS
Molecular Weight :240.6873
Molecular Structure :
Index of Refraction:1.532
Surface Tension: 45.7 dyne/cm
Density: 1.31 g/cm3
Flash Point: 131.4 °C
Enthalpy of Vaporization: 51.19 kJ/mol
Boiling Point: 293.6 °C at 760 mmHg
Vapour Pressure: 0.00299 mmHg at 25°C

Uses

 p-Chloro-2,4-dioxa-5-methyl-p-thiono-3-phosphabicyclo(4.4.0)decane (CAS NO.2921-31-5) is used as  intermediate in organic synthesis.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
chicken LD50 oral 25600ug/kg (25.6mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD		 Toxicology and Applied Pharmacology. Vol. 11, Pg. 49, 1967.
rabbit LD50 skin 360uL/kg (0.36mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LD50 oral 120mg/kg (120mg/kg)   Agricultural Research Service, USDA Information Memorandum. Vol. 20, Pg. 25, 1966.

Safety Profile

Poison by ingestion and skin contact. A skin irritant. When p-Chloro-2,4-dioxa-5-methyl-p-thiono-3-phosphabicyclo(4.4.0)decane (CAS NO.2921-31-5) is heated to decomposition, it emits toxic fumes of Cl−, SOx, and POx.