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3737-41-5

Basic Information
CAS No.: 3737-41-5
Name: 3,3,4,4-Tetrachlorotetrahydrothiophene 1,1-dioxide
Article Data: 2
Molecular Structure:
Molecular Structure of 3737-41-5 (3,3,4,4-Tetrachlorotetrahydrothiophene 1,1-dioxide)
Formula: C4H4 Cl4 O2 S
Molecular Weight: 257.953
Synonyms: 3,3,4,4-Tetrachlorotetrahydrothiophene1,1-dioxide; DAC 649; Slacurb
EINECS: 223-113-9
Density: 1.79g/cm3
Melting Point: 174 °C
Boiling Point: 399°Cat760mmHg
Flash Point: 195.1°C
Hazard Symbols: A poison by ingestion and skin contact. Moderately toxic by inhalation. A severe skin irritant.
Safety: A poison by ingestion and skin contact. Moderately toxic by inhalation. A severe skin irritant. When heated to decomposition it emits toxic vapors of SOx and Cl.
PSA: 42.52000
LogP: 2.84340
Synthetic route

cis-3,4-dichlorotetrahydrothiophene 1,1-dioxide

trans-3,4-dichlorotetrahydrothiophene-1,1-dioxide

3737-41-5

3,3,4,4-tetrachlorotetrahydrothiophene-1,1-dioxide

Conditions
ConditionsYield
With chlorine; trichlorophosphate at 65 - 73℃; for 13 - 16.5h; Product distribution / selectivity; Mercury lamp irradiation;68%
3737-41-5

3,3,4,4-tetrachlorotetrahydrothiophene-1,1-dioxide

(3aα,4α,7α,7aα)-3,3a-dichloro-3a,4,7,7a-tetrahydro-4,7-epoxybenzo[b]thiophene-1,1-dioxide

(3aα,4β,7β,7aα)-3,3a-dichloro-3a,4,7,7a-tetrahydro-4,7-epoxybenzo[b]thiophene-1,1-dioxide

Conditions
ConditionsYield
With triethylamine In dichloromethane at 20℃; for 4h;A 34%
B 41%
3737-41-5

3,3,4,4-tetrachlorotetrahydrothiophene-1,1-dioxide

696-68-4

6-(dimethylamino)fulvene

6-chloro-7,10-dihydro-7,10-epoxybenz[e]azulene

Conditions
ConditionsYield
Stage #1: furan; 3,3,4,4-tetrachlorotetrahydrothiophene-1,1-dioxide With triethylamine In dichloromethane at 20℃; for 4h;
Stage #2: 6-(dimethylamino)fulvene With triethylamine In acetonitrile at 20℃; for 96h; Further stages.;
221 mg
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Chemistry

The IUPAC name of Thiophene, 3,3,4,4-tetrachlorotetrahydro-, 1,1-dioxide (CAS NO.3737-41-5):
3,3,4,4-Tetrachlorothiolane 1,1-dioxide
Synonyms: 3,3,4,4-Tetrachlorotetrahydrothiophene 1,1-dioxide ; 3,3,4,4-Tetrachlorotetrahydrothiophene-1,1-dioxide ; EPA Pesticide Chemical Code 103101 ; Nopcocide DS 649 ; Tetrahydro-3,3,4,4-tetrachlorothiophene 1,1-dioxide 
CAS: 3737-41-5
EINECS: 223-113-9
Molecular Formula: C4H4Cl4O2S
Formula Weight: 257.95 g/mol
Molecular Structure:

Index of Refraction: 1.563 
Density: 1.79 g/cm3 
Flash Point: 195.1 °C 
Melting point:174 °C
Boiling Point: 399 °C at 760 mmHg

Toxicity Data With Reference

The toxicity of Thiophene, 3,3,4,4-tetrachlorotetrahydro-, 1,1-dioxide (CAS NO.3737-41-5):

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LCLo inhalation 184mg/m3/4H (184mg/m3) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
National Technical Information Service. Vol. OTS0535778,
mouse LCLo inhalation 184mg/m3/4H (184mg/m3) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
National Technical Information Service. Vol. OTS0535778,
rabbit LDLo skin 200mg/kg (200mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

GASTROINTESTINAL: OTHER CHANGES

LIVER: OTHER CHANGES
National Technical Information Service. Vol. OTS0555216,
rat LCLo inhalation 184mg/m3/4H (184mg/m3) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
National Technical Information Service. Vol. OTS0535778,
rat LD50 oral 87mg/kg (87mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

GASTROINTESTINAL: OTHER CHANGES

LIVER: OTHER CHANGES
National Technical Information Service. Vol. OTS0555216,

Safety Profile

The safety of Thiophene, 3,3,4,4-tetrachlorotetrahydro-, 1,1-dioxide (CAS NO.3737-41-5):
A poison by ingestion and skin contact. Moderately toxic by inhalation. A severe skin irritant. When heated to decomposition it emits toxic vapors of SOx and Cl.