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| CAS No.: | 764-41-0 |
|---|---|
| Name: | TRANS-1,4-DICHLORO-2-BUTENE |
| Article Data: | 33 |
| Molecular Structure: | |
|
|
|
| Formula: | C4H6Cl2 |
| Molecular Weight: | 124.998 |
| Synonyms: | 1,4-Dichloro-2-butylene;NSC 9452;1,4-Dichloro-2-Butene(mixture of cis and trans);2-Butene, 1,4-dichloro-;1,4-Dichlorobutene-2 ; 2-Butene, 1,4-dichloro- ; 2-Butylene dichloride ; RCRA waste number U074; |
| EINECS: | 212-121-8 |
| Density: | 1.126 g/cm3 |
| Melting Point: | 1-3 °C |
| Boiling Point: | 155.5 °C at 760 mmHg |
| Flash Point: | 54.4 °C |
| Solubility: | 580 mg/L at 25 °C in water |
| Appearance: | clear colorless liquid. Burns, though may be difficult to ignite |
| Hazard Symbols: |
  N
|
| Risk Codes: | 10-21-25-26-34-50/53-24/25-45 |
| Safety: | 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−. |
| Transport Information: | UN 3390 |
| PSA: | 0.00000 |
| LogP: | 2.02020 |
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Chemistry
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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
Uses
1,4-Dichloro-2-butene (CAS NO.764-41-0) is used to make other chemicals.
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. |
Consensus Reports
Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.
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
Standards and Recommendations
ACGIH TLV: Animal Carcinogen, Suspected Human Carcinogen
DFG MAK: Animal Carcinogen, Suspected Human Carcinogen
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 .