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Basic Information
CAS No.: 764-41-0
Name: TRANS-1,4-DICHLORO-2-BUTENE
Molecular Structure:
Molecular Structure of 764-41-0 (TRANS-1,4-DICHLORO-2-BUTENE)
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: DangerousN
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


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: VeryT+,DangerousN
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 .