1,1,2,3-Tetrachloro-1-propene
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1,1,2,3-Tetrachloro-1-propene
structure -
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CAS No:
10436-39-2
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Formula:
C3H2Cl4
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Chemical Name:
1,1,2,3-Tetrachloro-1-propene
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Synonyms:
1-Propene,1,1,2,3-tetrachloro-;Propene,1,1,2,3-tetrachloro-;1,1,2,3-Tetrachloro-1-propene;1,1,2,3-Tetrachloropropene;2,3,3-Trichloroallyl chloride;HCO 1230xa;HCO 1230;HCC 1230xa;1230xa;Genetron 123;HCC-1230xa
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CAS No:
1,1,2,3-Tetrachloro-1-propene Basic Attributes
179.85998
179.86
233-920-8
413S8C56GB
DTXSID2051475
2903299090
Characteristics
0
3.11070
clear colorless to yellowish liquid after melting
1.5409 g/cm3 @ Temp: 20 °C
29-31 °C(lit.)
68-69 °C @ Press: 30 Torr
62.3ºC
1.5121 (estimate)
MISCIBLE
1.66mmHg at 25°C
Safety Information
3
R37/38:Irritating to respiratory system and skin . R41:Risk of serious damage to eyes. R36/37/38:Irritating to eyes, respiratory system and skin . R34:Causes burns.
S26-S37/39
Xi,C
P264, P270, P273, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P391, P501
H302
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P273, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P391, and P501|Aggregated GHS information provided by 55 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Drug Information
In the presence of S9 mix all allylic chloropropenes tested exert considerable indirect mutagenic activity which is most pronounced for 1,2,3-trichloropropene. Lower as well as higher chlorinated derivatives are clearly less mutagenic. Longer than standard incubation time (120 min instead of 20 min) at 37 °C always leads to an incr in mutagenic activity. An incr in concn of rat liver homogenate fraction (S9) in the metabolizing system (S9 mix) enhances mutagenicity only for 1,3-dichloropropene, 2,3-dichloro-1-propene and for the cis isomer of 1,1,2,3-tetrachloro-2-propene. According to the effects of the enzyme inhibitors SKF525, 1,1,1-trichloropropene-2,3-oxide and cyanamide the allylic chloropropenes fall into 3 groups distinguished by their mode of metabolic activation by S9 mix: (a) allyl chloride and 1,3-dichloropropene are hydrolyzed to the corresponding allylic alcohols which can be oxidized to the respective acroleins (hydrolytic-oxidative pathway); (b) 2,3-dichloro-1-propene, 1,1,2,3-tetrachloro-2-propene and hexachloropropene are epoxidized in the C=C double bond, giving rise to reactive epoxides (epoxidative pathway); (c) only 1,2,3-trichloropropene is obviously activated by both these alternative metabolic pathways. Structural parameters like chloro substitution of the central C atom of the C=C-C sequence and substituent induced polarization of the C=C double bond as well as cis/trans isomerism might be responsible for different substrate properties for the enzymes involved in allylic chloropropene metabolism, thus determining different degrees of activation by either one or both pathways.
1,1,2,3-tetrachloro-2-propene
1,1,2,3-Tetrachloro-1-propene Use and Manufacturing
The preparation method is prepared by using 1, 3-dichloropropene as a raw material, through secondary chlorination, secondary dehydrochlorination and isomerization. Primary chlorination: add 1, 3-dichloropropene into a chlorination reactor with an external circulation pipeline, maintain a certain reaction temperature under light conditions, and pass chlorine gas to the bottom of the reactor for chlorination reaction, and stop when the end point is reached Chlorine gas is introduced into nitrogen gas to remove excess chlorine gas, the obtained chlorinated liquid is transferred to the distillation kettle, and a small amount of polymerization inhibitor is added for vacuum distillation to obtain 1, 2-dichloropropane and the middle distillate. Collect 105~110℃/13.330 The kPa fraction is 1, 1, 2, 3-tetrachloropropane. One-time dehydrochlorination: Put 1, 1, 2, 3-tetrachloropropane, calcium hydroxide and a certain amount of water into a reactor equipped with stirring, react for several hours at a certain temperature, and add 1:1 hydrochloric acid to neutralize To acidity, sedimentation layered to collect mixed trichloropropene. Secondary chlorination: the reaction equipment is operated with the same primary chlorination, and mixed trichloropropene is added to obtain mixed pentachloropropane. Second dehydrochlorination: the production equipment is operated with the same dehydrochlorination, mixed pentachloropropane is put into the reactor, calcium hydroxide is added, and tetrachloropropene is obtained by dehydrochlorination. Isomerization: Put mixed tetrachloropropene and a small amount of isomerization catalyst into a reactor equipped with a stirrer, react for several hours at a certain temperature, complete the isomerization reaction, distill under reduced pressure, and collect 102~104℃ /13.33 kPa fraction is 1, 1, 2, 3-tetrachloropropene. ClCH=CHCH2Cl+Cl2→ClCH2CHClCHCl2ClCH2CHClCHCl2+OH-→ClCH2ClG=CHClClCH2ClC=CHCl+Cl2→Cl2CHCCl2CH2ClCl2CHCCl2CH2Cl+OH-→Cl2C=CClCH2Cl
1,1,2,3-Tetrachloropropene is an intermediate of the herbicide Yeyanwei.
1-Propene, 1,1,2,3-tetrachloro-: ACTIVE
Computed Properties
Molecular Weight:179.9
XLogP3:3
Rotatable Bond Count:1
Exact Mass:179.888111
Monoisotopic Mass:177.891061
Heavy Atom Count:7
Complexity:80.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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