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CAS No.: | 760-23-6 |
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Name: | 3,4-dichloro-1 -butene |
Molecular Structure: | |
Formula: | C4H6Cl2 |
Molecular Weight: | 125.00 |
Synonyms: | 3,4-Dichlorobutene-1 (racemic mixture);1,2-Dichloro-3-butene (racemic mixture);4-01-00-00772 (Beilstein Handbook Reference);1-Butene, 3,4-dichloro- (racemic mixture);3,4-Dichlorobut-1-ene;3,4-Dichlorobutene-1;64037-54-3;1-Butene, 3,4-dichloro-, (+-)-; |
EINECS: | 212-079-0 |
Density: | 1.15 g/mL at 25 °C(lit.) |
Melting Point: | −61 °C(lit.) |
Boiling Point: | 123 °C(lit.) |
Flash Point: | 83 °F |
Hazard Symbols: | R10:Flammable.; R22:Harmful if swallowed.; R36/37/38:Irritating to eyes, respiratory system and skin.; |
Risk Codes: | Xn:Harmful; "> Xn:Harmful; |
Safety: | Moderately toxic by ingestion. Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits toxic fumes of Cl−. |
PSA: | 0.00000 |
LogP: | 2.01860 |
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Molecular Structure of 3,4-Dichloro-1-butene (760-23-6):
EINECS: 212-079-0
IUPAC Name: 3,4-Dichlorobut-1-ene
Molecular Formula: C4H6Cl2
Molecular Weight: 124.996440 g/mol
XLogP3-AA: 2.1
H-Bond Donor: 0
H-Bond Acceptor: 0
Canonical SMILES: C=CC(CCl)Cl
InChI: InChI=1S/C4H6Cl2/c1-2-4(6)3-5/h2,4H,1,3H2
InChIKey: XVEASTGLHPVZNA-UHFFFAOYSA-N
Index of Refraction: 1.443
Molar Refractivity: 29.96 cm3
Molar Volume: 112.8 cm3
Surface Tension: 25.9 dyne/cm
Density: 1.108 g/cm3
Flash Point: 28.3 °C
Melting Point: -61 °C(lit.)
Enthalpy of Vaporization: 33.97 kJ/mol
Boiling Point: 116 °C at 760 mmHg
Vapour Pressure: 22.1 mmHg at 25 °C
Water Solubility: 574.4 mg/L at 25 °C
Refractive Index: n20/D 1.4658(lit.)
Storage Temp.: 0-6 °C
BRN: 1739135
1. | cyt-rat-ihl 13,700 µg/m3/30D-I | ZKMAAX Zhurnal Eksperimentalnoi i Klinicheskoi Meditsiny. 25 (1985),335. | ||
2. | orl-mus LD50:724 mg/kg | GISAAA Gigiena i Sanitariya. 51 (7)(1986),77. |
Reported in EPA TSCA Inventory.
Safety Information of 3,4-Dichloro-1-butene (760-23-6):
Hazard Codes: C
Risk Statements: 10-20/22-34
10: Flammable
20/22: Harmful by inhalation and if swallowed
34: Causes burns
Safety Statements: 16-26-36/37/39-45
16: Keep away from sources of ignition - No smoking
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37/39: Wear suitable protective clothing, gloves and eye/face protection
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
RIDADR: UN 2920 8/PG 2
WGK Germany: 3
RTECS: EM4740000
HazardClass: 3.2
PackingGroup: III
Moderately toxic by ingestion. Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits toxic fumes of Cl−.
3,4-Dichloro-1-butene (760-23-6) is yellow - colorless clear liquid, known as 1,2-Dichloro-3-butene ; 1,2-Dichloro-3-butene (racemic mixture) ; 1-Butene, 3,4-dichloro- ; 3,4-Dichlorobutene-1 (racemic mixture) ; 4-01-00-00772 (Beilstein Handbook Reference) ; CCRIS 8555 ; HSDB 5751 ; 1-Butene, 3,4-dichloro- (racemic mixture) ; 3,4-Dichlorobut-1-ene . It is incompatible with strong oxidizing agents, strong bases. When heated to decomposition, it yields Hydrogen chloride , Carbon monoxide , Carbon dioxide .