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| CAS No.: | 1633-83-6 |
|---|---|
| Name: | 1,4-Butane sultone |
| Article Data: | 17 |
| Cas Database | |
| Molecular Structure: | |
|
|
|
| Formula: | C4H8O3S |
| Molecular Weight: | 136.172 |
| Synonyms: | 1-Butanesulfonicacid, 4-hydroxy-, d-sultone (7CI);Butane sultone;NSC 71999;d-Butane sultone;d-Valerosultone; |
| EINECS: | 216-647-9 |
| Density: | 1.308 g/cm3 |
| Melting Point: | 12-15 °C(lit.) |
| Boiling Point: | 299.9 °C at 760 mmHg |
| Flash Point: | 135.2 °C |
| Solubility: | Water solubility: 54 g/L (20 °C) decomposes |
| Appearance: | clear colorless to yellowish liquid |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22-40-68-20/21/22 |
| Safety: | 22-36/37-45-36 |
| Transport Information: | N/A |
| PSA: | 51.75000 |
| LogP: | 1.20740 |
| Conditions | Yield |
|---|---|
| Stage #1: 4-Chlorobutyl acetate With sodium sulfite In water Reflux; Stage #2: With hydrogenchloride In methanol for 4h; Reflux; Stage #3: at 110℃; under 20 Torr; Temperature; Pressure; Solvent; | 92% |
4-hydroxy-butane-1-sulfonic acid
1,4-butane sultone
| Conditions | Yield |
|---|---|
| at 40 - 110℃; for 2h; Temperature; | 88% |
| In water; toluene at 85℃; Temperature; Solvent; | 82.77% |
| With ethanol; xylene Unter Entfernen des entstehenden Wassers; |
A
1,4-butane sultone
B
4-hydroxy-1-butanesulfonyl chloride
| Conditions | Yield |
|---|---|
| With chlorine In water | A n/a B 51% |
4-Mercapto-1-butanol
A
1,4-butane sultone
B
4-chloro-1-butanesulfonyl chloride
| Conditions | Yield |
|---|---|
| With chlorine In chloroform Yields of byproduct given; | A 27% B n/a |
| With chlorine In chloroform Yields of byproduct given; | A n/a B 27% |
4-Mercapto-1-butanol
A
1,4-butane sultone
B
4-chloro-1-butanesulfonyl chloride
C
4-hydroxy-1-butanesulfonyl chloride
| Conditions | Yield |
|---|---|
| With chlorine In dichloromethane | A 12% B 14% C 27% |
4,4'-oxy-bis-butane-1-sulfonic acid
1,4-butane sultone
| Conditions | Yield |
|---|---|
| Unter vermindertem Druck; |
| Conditions | Yield |
|---|---|
| Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts; | |
| With sulfur dioxide; chlorine Im Gluehlampenlicht; Erwaermen des Reaktionsprodukts mit Wasser und Erhitzen des danach isolierten Reaktionsprodukts unter vermindertem Druck; |
| Conditions | Yield |
|---|---|
| (i) AcCl, (ii) aq. Na2SO3; Multistep reaction; |
| Conditions | Yield |
|---|---|
| With thionyl chloride In N,N-dimethyl-formamide for 22h; Ambient temperature; |
4-hydroxy-1-butanesulfonyl chloride
1,4-butane sultone
| Conditions | Yield |
|---|---|
| With butan-1-ol In chloroform-d1 Rate constant; Ambient temperature; further reagent and solvent : Et3N, EtOD; |
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Molecular Formula: C4H8O3S
Molecular Weight: 136.18 g/mol
EINECS: 216-647-9
Index of Refraction: 1.47
Density: 1.308 g/cm3
Flash Point: 135.2 °C
Melting point: 12-15 °C(lit.)
Sensitive: Moisture Sensitive
Enthalpy of Vaporization: 51.84 kJ/mol
Boiling Point: 299.9 °C at 760 mmHg
Vapour Pressure: 0.00206 mmHg at 25 °C
Water solubility: 54 g/L (20 ºC) decomposes
Appearance: Clear colorless to yellowish liquid
Structure of 1,4-Butane sultone (CAS NO.1633-83-6):
IUPAC Name: Oxathiane 2,2-dioxide
Product Category of 1,4-Butane sultone (CAS NO.1633-83-6): Heterocycles
1,4-Butane sultone (CAS NO.1633-83-6) is mainly used as the intermediates of organic sulfonation agent and fine chemicals. It is the raw material of electroplating intermediate, ande can be applicable to medicine, photographic materials, lithium battery, surface active agents.
| 1. | mmo-sat 100 µg/plate | JNCIAM Journal of the National Cancer Institute. 62 (1979),893. | ||
| 2. | dnr-esc 10 µL/disc | JNCIAM Journal of the National Cancer Institute. 62 (1979),873. | ||
| 3. | hma-mus/sat 138 mg/kg | JNCIAM Journal of the National Cancer Institute. 62 (1979),911. | ||
| 4. | orl-rat TDLo:1300 mg/kg/1Y-I:ETA,REP | ZEKBAI Zeitschrift fuer Krebsforschung. 75 (1970),69. | ||
| 5. | orl-rat LD50:500 mg/kg | ZEKBAI Zeitschrift fuer Krebsforschung. 75 (1970),69. | ||
| 6. | scu-rat LD50:350 mg/kg | ZEKBAI Zeitschrift fuer Krebsforschung. 75 (1970),69. | ||
| 7. | ivn-rat LD50:270 mg/kg | ZEKBAI Zeitschrift fuer Krebsforschung. 75 (1970),69. | ||
| 8. | ipr-mus LD50:138 mg/kg | JJIND8 JNCI, Journal of the National Cancer Institute. 62 (1979),911. |
EPA Genetic Toxicology Program. Reported in EPA TSCA Inventory.
Suspected carcinogen with experimental tumorigenic data. Poison by subcutaneous, intravenous, and intraperitoneal routes. Moderately toxic by ingestion. Experimental reproductive effects. Human mutation data reported. See also SULFONATES. When heated to decomposition it emits toxic fumes of SOx.
Hazard Codes: 
Xn
Risk Statements: 22-40-68-20/21/22
22: Harmful if swallowed
40: Limited evidence of a carcinogenic effect
68: Possible risk of irreversible effects
20/21/22: Harmful by inhalation, in contact with skin and if swallowed
Safety Statements: 22-36/37-45-36
22: Do not breathe dust
36/37: Wear suitable protective clothing and gloves
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
36: Wear suitable protective clothing
DFG MAK: Animal Carcinogen, Suspected Human Carcinogen
1,4-Butane sultone , its cas register number is 1633-83-6. It also can be called 4-Hydroxy-1-butanesulfonic acid delta-sultone ; and Butanesultone .
