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3563-36-8

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Basic Information
CAS No.: 3563-36-8
Name: 1,2-BIS(2-CHLOROETHYL(THIO)ETHANE
Article Data: 2
Molecular Structure:
Molecular Structure of 3563-36-8 (1,2-BIS(2-CHLOROETHYL(THIO)ETHANE)
Formula: C6H12 Cl2 S2
Molecular Weight: 219.199
Synonyms: 1,8-Dichloro-3,6-dithiaoctane;3,6-Dithia-1,8-octanedichloride; Agent Q; Bis(2-chloroethylthio)ethane; NSC30025; Sesquimustard; Sesquimustard Q
Density: 1.229g/cm3
Boiling Point: 328.7°Cat760mmHg
Flash Point: 144.9°C
Safety: Human poison by inhalation. Experimental poison by inhalation and subcutaneous routes. When heated to decomposition it emits very toxic fumes of SOx and Cl−. See also MERCAPTANS.
PSA: 50.60000
LogP: 2.93040
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Chemistry

IUPAC Name: 1,2-bis(2-Chloroethylsulfanyl)ethane
Synonyms of Sesquimustard (CAS NO.55049-48-4): 1,2-Bis(2-chloroethylthio)ethane ; 1,8-Dichloro-3,6-dithiaoctane ; 1,8-Dichloro-3,6-dithiaoctane ; Bis(2-chloroethylthio)ethane ; Ethane, 1,2-bis(2-chloro-ethylthio)- ; Ethane, 1,2-bis(2-chloroethylmercapto)- ; Sesquisulfur Mustard
CAS NO: 55049-48-4
Molecular Formula: C12H12K3Na3O15
Molecular Weight : 582.4789
Molecular Structure:
H bond acceptors: 0
H bond donors: 0
Freely Rotating Bonds: 7
Polar Surface Area: 50.6 Å2
Index of Refraction: 1.535
Molar Refractivity: 55.53 cm3
Molar Volume: 178.2 cm3
Surface Tension: 40.2 dyne/cm
Density: 1.229 g/cm3
Flash Point: 144.9 °C
Enthalpy of Vaporization: 54.84 kJ/mol
Boiling Point: 328.7 °C at 760 mmHg
Vapour Pressure: 0.000357 mmHg at 25°C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LC50 inhalation 90mg/m3/2M (90mg/m3) BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"		 Toxicology and Applied Pharmacology. Vol. 5, Pg. 677, 1963.
guinea pig LC50 inhalation 8mg/m3/10M (8mg/m3) BEHAVIORAL: ATAXIA

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

LUNGS, THORAX, OR RESPIRATION: DYSPNEA		 Toxicology and Applied Pharmacology. Vol. 5, Pg. 677, 1963.
guinea pig LDLo subcutaneous 40mg/kg (40mg/kg)   National Technical Information Service. Vol. PB158-507,
hamster LC50 inhalation 22mg/m3/10M (22mg/m3) BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"		 Toxicology and Applied Pharmacology. Vol. 5, Pg. 677, 1963.
human LCLo inhalation 300mg/m3 (300mg/m3) LUNGS, THORAX, OR RESPIRATION: "FIBROSIS, FOCAL (PNEUMOCONIOSIS)"

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES		 Science Journal. Vol. 3(4), Pg. 33, 1967.
mouse LC50 inhalation 6mg/m3/10M (6mg/m3) BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"		 Toxicology and Applied Pharmacology. Vol. 5, Pg. 677, 1963.
mouse LDLo subcutaneous 10mg/kg (10mg/kg)   National Technical Information Service. Vol. PB158-507,
pigeon LC50 inhalation 61mg/m3/10M (61mg/m3) BEHAVIORAL: ATAXIA

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

LUNGS, THORAX, OR RESPIRATION: DYSPNEA		 Toxicology and Applied Pharmacology. Vol. 5, Pg. 677, 1963.
rat LC50 inhalation 11mg/m3/10M (11mg/m3) BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"		 Toxicology and Applied Pharmacology. Vol. 5, Pg. 677, 1963

Safety Profile

Human poison by inhalation. Experimental poison by inhalation and subcutaneous routes. When Sesquimustard (CAS NO.55049-48-4) is heated to decomposition, it emits very toxic fumes of SOx and Cl−. See also MERCAPTANS.