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Cas Database |
| Name |
trans-1,4-Dichloro-2-butene |
EINECS | 203-779-7 |
| CAS No. | 110-57-6 | Density | 1.13 g/cm3 |
| PSA | 0.00000 | LogP | 2.02020 |
| Solubility | N/A | Melting Point |
1-3 °C |
| Formula | C4H6Cl2 | Boiling Point | 125.5 °C at 760 mmHg |
| Molecular Weight | 124.998 | Flash Point | 33.3 °C |
| Transport Information | UN 3390 6.1/PG 1 | Appearance | clear colorless to light yellow liquid |
| Safety | 53-23-26-36/37/39-45-36/37-99-61-60 | Risk Codes | 10-21-25-26-34-39/23/24/25-23/24/25-11-50/53-45-24/25 |
| Molecular Structure |
|
Hazard Symbols |
 T+
|
| Synonyms |
2-Butene,1,4-dichloro-, (E)- (8CI);2-Butene, 1,4-dichloro-, trans- (5CI);(E)-1,4-Dichloro-2-butene;1,4-Dichloro-trans-2-butene;trans-1,4-Dichlorobuten-2-ene;2-Butene,1,4-dichloro-, (2E)-; |
Article Data | 39 |
trans-1,4-Dichloro-2-butene Synthetic route
- 310447-99-5, 310448-01-2
3,4-dichlorobut-1-ene
- 110-57-6
trans-1,4-dichlorobut-2-ene
| Conditions | Yield |
|---|---|
| With poly(tetrafluoroethylene); iron oxide nanoparticles; oxygen at 100℃; for 0.5h; | 67% |
| With copper(l) chloride at 175℃; | |
| With aluminium trichloride; iron(III) chloride at -10 - -5℃; |
| Conditions | Yield |
|---|---|
| With tetrachloromethane; chlorine at -80℃; unter Lichtausschluss; | |
| With pyridine; tetrachloromethane; chlorine at -80℃; unter Lichtausschluss; |
- 106-99-0
buta-1,3-diene
A
- 110-57-6
trans-1,4-dichlorobut-2-ene
B
- 310447-99-5, 310448-01-2
3,4-dichlorobut-1-ene
| Conditions | Yield |
|---|---|
| With chlorine at 60 - 75℃; in der Dampfphase; | |
| With chlorine at 60 - 75℃; in verschiedenen Loesungsmitteln unter Kuehlung; | |
| at 25℃; electrolysis; anolyte=CoCl2-MeCN, catholyte=NH4Cl-H2O; |
- 106-99-0
buta-1,3-diene
A
- 1476-11-5
Z-1,4-dichlorobutene
B
- 110-57-6
trans-1,4-dichlorobut-2-ene
C
- 310447-99-5, 310448-01-2
3,4-dichlorobut-1-ene
| Conditions | Yield |
|---|---|
| With iodine; copper dichloride In benzene at 70℃; for 2h; | |
| With copper dichloride In acetonitrile at 60℃; for 2h; |
- 67-56-1
methanol
- 106-99-0
buta-1,3-diene
A
- 7795-90-6
4-Chlor-3-methoxy-but-1-en
B
- 110-57-6
trans-1,4-dichlorobut-2-ene
C
- 310447-99-5, 310448-01-2
3,4-dichlorobut-1-ene
D
- 57513-14-1
1-chloro-4-methoxy-2-butene
| Conditions | Yield |
|---|---|
| With tert-butylhypochlorite at 0 - 5℃; Further byproducts given; | |
| With tert-butylhypochlorite at -5 - 0℃; Further byproducts given. Title compound not separated from byproducts; |
- 102776-00-1
trans-1-bromo-4-chloro-2-butene
- 110-57-6
trans-1,4-dichlorobut-2-ene
| Conditions | Yield |
|---|---|
| With (C4H9)N(1+)*Cl(1-) In dichloromethane at 0℃; for 24h; Title compound not separated from byproducts; | 95 % Chromat. |
- 310447-99-5, 310448-01-2
3,4-dichlorobut-1-ene
A
- 1476-11-5
Z-1,4-dichlorobutene
B
- 110-57-6
trans-1,4-dichlorobut-2-ene
| Conditions | Yield |
|---|---|
| With poly(p-xylylene); palladium In toluene at 99.85℃; Product distribution; | |
| With oxygen at 100℃; |
| Conditions | Yield |
|---|---|
| With maleic anhydride In acetone for 4h; Irradiation; Inert atmosphere; |
- 110-57-6
trans-1,4-dichlorobut-2-ene
- 998-40-3
tributylphosphine
- 36288-32-1, 134839-26-2
(E)-but-2-ene-1,4-diylbis(tributylphosphonium) dichloride
| Conditions | Yield |
|---|---|
| In 5,5-dimethyl-1,3-cyclohexadiene at 20℃; for 18h; Inert atmosphere; Reflux; | 100% |
trans-1,4-Dichloro-2-butene Chemical Properties
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IUPAC Name: (E)-1,4-Dichlorobut-2-ene
Canonical SMILES: C(C=CCCl)Cl
Isomeric SMILES: C(/C=C/CCl)Cl
InChI: InChI=1S/C4H6Cl2/c5-3-1-2-4-6/h1-2H,3-4H2/b2-1+
InChIKey: FQDIANVAWVHZIR-OWOJBTEDSA-N
Molecular Weight: 124.99644 [g/mol]
Molecular Formula: C4H6Cl2
XLogP3-AA: 1.7
EINECS: 203-779-7
storage temp.: 2-8 °C
Index of Refraction: 1.459
Molar Refractivity: 30.33 cm3
Molar Volume: 110.9 cm3
Surface Tension: 28 dyne/cm
Density: 1.126 g/cm3
Flash Point: 54.4 °C
Enthalpy of Vaporization: 37.61 kJ/mol
Boiling Point: 155.5 °C at 760 mmHg
Vapour Pressure: 3.89 mmHg at 25 °C
Water Solubility: 580 mg/L at 25 °C
Appearance: clear colorless liquid. Burns, though may be difficult to ignite
Melting Point: 1-3 °C(lit.)
Classification Code of 1,4-Dichloro-2-butene (CAS NO.764-41-0): Mutation data; Reproductive Effect; Tumor data
trans-1,4-Dichloro-2-butene Uses
1,4-Dichloro-2-butene (CAS NO.764-41-0) is used to make other chemicals.
trans-1,4-Dichloro-2-butene Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LC50 | inhalation | 920mg/m3 (920mg/m3) | BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 29(4), Pg. 49, 1985. |
| mouse | LD50 | intravenous | 56mg/kg (56mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01103, | |
| mouse | LD50 | oral | 190mg/kg (190mg/kg) | BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 29(4), Pg. 49, 1985. |
| rabbit | LD50 | skin | 620uL/kg (0.62mL/kg) | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951. | |
| rat | LCLo | inhalation | 62ppm/4H (62ppm) | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951. | |
| rat | LD50 | oral | 89mg/kg (89mg/kg) | AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951. |
trans-1,4-Dichloro-2-butene Consensus Reports
Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.
trans-1,4-Dichloro-2-butene Safety Profile
Confirmed carcinogen with experimental carcinogenic and neoplastigenic data. Poison by ingestion, inhalation, and intravenous routes. Moderately toxic by skin contact. An experimental teratogen. Other experimental reproductive effects. Mutation data reported. A severe skin and eye irritant. When heated to decomposition it emits toxic fumes of Cl−.
Hazard Codes: 
T+,
N
Risk Statements:
R45: May cause cancer.
R24/25: Toxic in contact with skin and if swallowed.
R26: Very toxic by inhalation.
R34: Causes burns.
R50/53: Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements:
S53: Avoid exposure - obtain special instructions before use.
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).
S60: This material and its container must be disposed of as hazardous waste.
S61: Avoid release to the environment. Refer to special instructions/safety data sheets.
RIDADR UN: 3390 6.1/PG 1
WGK Germany: 3
RTECS: EM4903000
F: 8-21
HazardClass: 6.1(a)
PackingGroup: II
trans-1,4-Dichloro-2-butene Standards and Recommendations
ACGIH TLV: Animal Carcinogen, Suspected Human Carcinogen
DFG MAK: Animal Carcinogen, Suspected Human Carcinogen
trans-1,4-Dichloro-2-butene Specification
1,4-Dichloro-2-butene (CAS NO.764-41-0), its Synonyms are 1,4-Dichloro-2-butylene ; 1,4-Dichlorobutene-2 ; 2-Butene, 1,4-dichloro- ; 2-Butylene dichloride ; RCRA waste number U074 .
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