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Basic Information
CAS No.: 10140-91-7
Name: 2-Chloro-4a,5,6,7,8,8a-hexahydro-4,8-dimethyl-4H-1,3,2-benzodioxaphosphorin 2-sulfide
Molecular Structure:
Molecular Structure of 10140-91-7 (2-Chloro-4a,5,6,7,8,8a-hexahydro-4,8-dimethyl-4H-1,3,2-benzodioxaphosphorin 2-sulfide)
Formula: C9H16 Cl O2 P S
Molecular Weight: 254.7139
Synonyms: Phosphorochloridothioicacid, cyclic O,O-ester with 2-hydroxy-a,3-dimethylcyclohexanemethanol (8CI);p-Chloro-5,10-dimethyl-2,4-dioxa-p-thiono-3-phosphabicyclo-(4,4,0)decane
Density: 1.27g/cm3
Boiling Point: 288.8°Cat760mmHg
Flash Point: 128.5°C
Safety: Poison by ingestion and skin contact. When heated to decomposition it emits toxic fumes of Cl−, POx, and SOx.
PSA: 60.36000
LogP: 4.48610
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Chemistry

Empirical Formula of P-Chloro-5,10-dimethyl-2,4-dioxa-P-thiono-3-phosphabicyclo(4.4.0)decane (CAS NO.10140-91-7): C9H16ClO2PS
Molecular Weight: 254.7139 
Index of Refraction: 1.532
Density: 1.27 g/cm3
Flash Point: 128.5 °C
Enthalpy of Vaporization: 50.69 kJ/mol
Boiling Point: 288.8 °C at 760 mmHg
Vapour Pressure: 0.00397 mmHg at 25 °C
Structure of P-Chloro-5,10-dimethyl-2,4-dioxa-P-thiono-3-phosphabicyclo(4.4.0)decane (CAS NO.10140-91-7):
                             
IUPAC Name: 4-Chloro-1,6-dimethyl-4-sulfanylidene-3,5-dioxa-4λ5-phosphabicyclo[4.4.0]decane
Canonical SMILES: CC12CCCCC1(OP(=S)(OC2)Cl)C
InChI: InChI=1S/C9H16ClO2PS/c1-8-5-3-4-6-9(8,2)12-13(10,14)11-7-8/h3-7H2,1-2H3
InChIKey: HFORSFOJIJJXSO-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

skn-rbt 10 mg/24H open MLD

     AIHAAP    American Industrial Hygiene Association Journal. 23 (1962),95.
2.    

orl-rat LD50:110 mg/kg

     AIHAAP    American Industrial Hygiene Association Journal. 23 (1962),95.
3.    

skn-rbt LD50:200 mg/kg

     AIHAAP    American Industrial Hygiene Association Journal. 23 (1962),95.

Safety Profile

Poison by ingestion and skin contact. When heated to decomposition P-Chloro-5,10-dimethyl-2,4-dioxa-P-thiono-3-phosphabicyclo(4.4.0)decane (CAS NO.10140-91-7) emits toxic fumes of Cl−, POx, and SOx.

Specification

 P-Chloro-5,10-dimethyl-2,4-dioxa-P-thiono-3-phosphabicyclo(4.4.0)decane , its cas register number is 10140-91-7. It also can be called 3-Phosphabicyclo(4.4.0)decane, P-chloro-5,10-dimethyl-2,4-dioxa-P-thiono- ; and P-Chlor-5,10-dimethyl-2,4-dioxa-P-thiono-3-fosfabicyklo(4.4.0)dekan .