2-chloro-3,3-dimethyl-1-butene
A
tert-butyl phosphinyl dichloride
B
chloroacetyl chloride
Conditions | Yield |
---|---|
With oxygen; phosphorus trichloride at -10 - 10℃; | A 90% B n/a C n/a |
With oxygen; phosphorus trichloride at -10 - 10℃; Product distribution; Mechanism; | A 90% B n/a C n/a |
Conditions | Yield |
---|---|
With chlorine at 55℃; under 750.075 - 1500.15 Torr; Temperature; | 89.59% |
With chlorine im Sonnenlicht; | |
With iodine durch Chlorieren; | |
With tetrachloromethane; chlorine Irradiation.im Licht der Quarzlampe; |
Conditions | Yield |
---|---|
With thionyl chloride In N,N-dimethyl-formamide at 20℃; for 24h; | 70% |
With phosphorus trichloride | |
With thionyl chloride |
cis/trans-3,5-Bis-(chloromethyl)-3-fluoro-5-methyl-1,2,4-trioxolane
A
chloroacetone
B
chloroacetyl chloride
Conditions | Yield |
---|---|
With triphenylphosphine In chloroform-d1 | A 28 % Spectr. B 23 % Spectr. C 33% |
Conditions | Yield |
---|---|
With nitrosylchloride | |
With chlorine in der Gasphase; | |
With tetrachloromethane; chlorine | |
With sulfur dioxide; chlorine | |
With diethyl ether; chlorine |
Conditions | Yield |
---|---|
With chlorine in der Gasphase; |
Conditions | Yield |
---|---|
With diethyl ether; Nitryl chloride Kuehlung mit CO2-Alkohol; |
Conditions | Yield |
---|---|
With sulfuric acid; oxygen | |
With bromine; oxygen |
Conditions | Yield |
---|---|
With tetrachloromethane; oxygen; chlorine Irradiation.unter UV-Bestrahlung; | |
With oxygen; chlorine Irradiation.unter UV-Bestrahlung , ohne Loesungsmittel; | |
With oxygen; chlorine; chloroacetyl chloride Irradiation.unter UV-Bestrahlung; |
(E)-1,2-dichloro-1-ethoxy-ethene
chloroacetyl chloride
Conditions | Yield |
---|---|
With hydrogenchloride und nachtraegliches Erhitzen; | |
With hydrogenchloride |
1,1-dichloroethyl chloroacetate
A
2-chloroethanal
B
chloroacetyl chloride
Conditions | Yield |
---|---|
Spaltung; |
Benzotrichlorid
(E)-3-Ureido-but-2-enoic acid ethyl ester
chloroacetic acid
A
benzoyl chloride
B
chloroacetyl chloride
Conditions | Yield |
---|---|
at 80 - 90℃; |
Benzotrichlorid
chloroacetic acid
A
benzoyl chloride
B
chloroacetyl chloride
Conditions | Yield |
---|---|
at 100 - 120℃; |
Conditions | Yield |
---|---|
at 100 - 120℃; | |
With zinc(II) chloride at 80 - 90℃; |
Conditions | Yield |
---|---|
With pyrographite at 200℃; | |
With anionenexchanger at 150℃; |
dimethylsulfide
A
2-chloroethanal
B
chloro-methylsulfanyl-methane
C
chloroacetic acid
D
chloroacetyl chloride
Conditions | Yield |
---|---|
In chloroform-d1 Ambient temperature; | A 10 % Spectr. B 35 % Spectr. C 31 % Spectr. D 25 % Spectr. |
acetyl chloride
chloroacetic acid
A
acetic acid
B
chloroacetyl chloride
Conditions | Yield |
---|---|
In various solvent(s) at 39.9℃; Equilibrium constant; Kinetics; Thermodynamic data; var. temp.; activation energy E; |
(dichloroacetyl)methylphenylphosphane
A
dichloroacethyl chloride
B
chloroacetyl chloride
C
methyl(phenyl)chlorophosphine
Conditions | Yield |
---|---|
at 0 - 35℃; for 4h; Mechanism; var. time, with solv.; other chloroacetylphosphanes; |
3-Chlor-3,5-bis(chlormethyl)-1,2,4-trioxolan
A
chloroacetic acid
B
chloroacetyl chloride
Conditions | Yield |
---|---|
In chloroform-d1 at 41℃; for 312h; | A 61 % Spectr. B 38 % Spectr. |
cis/trans-3,5-Bis-(chloromethyl)-3-fluoro-5-methyl-1,2,4-trioxolane
A
dichloro-acetic acid
B
acetyl chloride
C
chloroacetyl chloride
Conditions | Yield |
---|---|
With 1,1,2,2-tetrachloroethane In chloroform-d1 at 23℃; for 240h; | A 15 % Spectr. B 25 % Spectr. C 8 % Spectr. D 9 % Spectr. |
(Chloracetyl)(1,2-dichlor-1-methylethyl)peroxid
A
chloroacetone
B
chloroacetyl chloride
Conditions | Yield |
---|---|
With triphenylphosphine In chloroform-d1 Ambient temperature; | A 54 % Spectr. B 42 % Spectr. |
A
2-chloroethanal
B
chloro-methylsulfanyl-methane
C
chloroacetic acid
D
chloroacetyl chloride
Conditions | Yield |
---|---|
With dimethylsulfide In chloroform-d1 Ambient temperature; | A 10 % Spectr. B 35 % Spectr. C 31 % Spectr. D 25 % Spectr. |
A
dichloro-acetic acid
B
dichloroacethyl chloride
C
chloroacetic acid
D
chloroacetyl chloride
Conditions | Yield |
---|---|
In chloroform-d1 at 60℃; for 168h; | A 9 % Spectr. B 8 % Spectr. C 22 % Spectr. D 60 % Spectr. |
Conditions | Yield |
---|---|
With hydrogenchloride; N-chloro-succinimide; thionyl chloride; acetic acid 1.) 70 deg C, 30 min, 2.) 85 deg C, 90 min; Yield given. Multistep reaction; |
1,2-dichloro-ethane
A
formyl chloride
B
carbon dioxide
C
chloroacetyl chloride
Conditions | Yield |
---|---|
With oxygen; chlorine In gas at 22.9℃; under 700 Torr; Rate constant; Irradiation; pulse radiolysis; |
trans-1,2-dichloroethylene
A
formic acid
B
formyl chloride
C
chloroacetyl chloride
Conditions | Yield |
---|---|
With water; oxygen for 0.0152778h; Quantum yield; Decomposition; UV-irradiation; |
chloroethylene
A
2-chloroethanal
B
formyl chloride
C
chloroacetyl chloride
D
acetylene
Conditions | Yield |
---|---|
With oxygen for 0.0152778h; Quantum yield; Decomposition; UV-irradiation; |
1,1-Dichloroethylene
A
formic acid
B
formyl chloride
C
chloroacetyl chloride
Conditions | Yield |
---|---|
With water; oxygen for 0.00833333h; Quantum yield; Decomposition; UV-irradiation; |
Conditions | Yield |
---|---|
In acetone at 20℃; | 100% |
In tetrahydrofuran at 0 - 20℃; for 3.5h; | 99% |
In tetrahydrofuran at 20℃; for 12h; Acylation; | 98% |
Conditions | Yield |
---|---|
In acetone at 20℃; | 100% |
With triethylamine In dichloromethane at 0 - 10℃; for 1h; | 100% |
With triethylamine In dichloromethane at 0 - 20℃; for 6h; | 98% |
Conditions | Yield |
---|---|
With potassium carbonate In toluene at 60℃; for 2h; | 100% |
Stage #1: morpholine; chloroacetyl chloride With triethylamine In dichloromethane at 0 - 27℃; for 2h; Stage #2: With hydrogenchloride In dichloromethane; water | 100% |
With triethylamine In dichloromethane at 0 - 20℃; for 6h; | 99% |
TETRAHYDROFURFURYLAMINE
chloroacetyl chloride
2-chloro-N-[(tetrahydrofuran-2-yl)methyl]acetamide
Conditions | Yield |
---|---|
In dichloromethane | 100% |
With potassium carbonate In dichloromethane Heating; | 97% |
With trimethylamine In dichloromethane at 0 - 20℃; for 4h; | 76% |
1-indoline
chloroacetyl chloride
2-Chloro-1-(2,3-dihydro-1H-1-indolyl)-1-ethanone
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 20℃; for 3h; | 100% |
With N,N-dimethyl acetamide at 0℃; for 0.0833333h; Green chemistry; | 89% |
In acetone at 0 - 20℃; for 1h; | 63% |
tryptamine
chloroacetyl chloride
2-chloro-N-<2-(indol-3-yl)ethyl>acetamide
Conditions | Yield |
---|---|
With potassium carbonate In dichloromethane Ambient temperature; | 100% |
In dichloromethane | 100% |
With triethylamine In tetrahydrofuran at 20℃; for 6h; Cooling with ice; Inert atmosphere; | 96% |
Conditions | Yield |
---|---|
In acetone at 20℃; | 100% |
With potassium carbonate In dichloromethane at 20℃; Cooling with ice; | 73% |
With potassium carbonate In dichloromethane at 20℃; Cooling with ice; | 73.1% |
2,4-Dichloroaniline
chloroacetyl chloride
2-chloro-N-(2,4-dichlorophenyl)acetamide
Conditions | Yield |
---|---|
Stage #1: 2,4-Dichloroaniline With triethylamine In dichloromethane at 20℃; for 0.5h; Stage #2: chloroacetyl chloride In dichloromethane at 0℃; | 100% |
With triethylamine In dichloromethane at 0 - 25℃; | 99.4% |
With triethylamine In dichloromethane at 0 - 25℃; | 99.4% |
Conditions | Yield |
---|---|
In dichloromethane | 100% |
With triethylamine In dichloromethane at 20 - 27℃; for 1h; | 100% |
In acetonitrile at 5 - 20℃; for 2h; | 93% |
4-methoxy-aniline
chloroacetyl chloride
N-(4-methoxyphenyl)-2-chloroacetamide
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 0℃; for 0.166667h; | 100% |
In tetrahydrofuran at 20℃; for 18h; | 100% |
With triethylamine In dichloromethane at 0 - 25℃; | 99.4% |
2-(3,4-dimethoxyphenyl)-ethylamine
chloroacetyl chloride
2-chloro-N-(2-(3,4-dimethoxyphenyl)ethyl)acetamide
Conditions | Yield |
---|---|
In dichloromethane | 100% |
With N,N-dimethyl-aniline In dichloromethane at 0℃; for 1h; | 98% |
With N,N-dimethyl-aniline In dichloromethane at 0℃; for 2h; | 98% |
Conditions | Yield |
---|---|
With potassium carbonate In dichloromethane Ambient temperature; | 100% |
With potassium carbonate In dichloromethane at 20℃; Acylation; | 100% |
In dichloromethane | 100% |
Conditions | Yield |
---|---|
In N,N-dimethyl-formamide at 20℃; for 0.333333h; | 100% |
In toluene at 90℃; for 4h; Inert atmosphere; | 99% |
In N,N-dimethyl-formamide at 80℃; for 2h; | 97% |
Conditions | Yield |
---|---|
In dichloromethane; water at 5℃; Temperature; Solvent; | 100% |
With triethylamine In dichloromethane at 0℃; | 99% |
With triethylamine In 1,2-dichloro-ethane at 10 - 20℃; for 3h; Cooling with ice; | 95% |
2-Aminobenzyl alcohol
chloroacetyl chloride
[2-(2-chloro-acetylamino)-phenyl]-methanol
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 2h; | 100% |
With diethyl ether; benzene | |
With triethylamine In tetrahydrofuran | 75.9 g (93%) |
With triethylamine In tetrahydrofuran | 75.9 g (93%) |
With triethylamine In tetrahydrofuran | 75.9 g (93%) |
Conditions | Yield |
---|---|
In dichloromethane | 100% |
In dichloromethane at 0℃; for 1h; Inert atmosphere; | 100% |
In dichloromethane for 1h; Cooling with ice; Inert atmosphere; | 99% |
2-amino-1-phenylpropane
chloroacetyl chloride
(+/-)-chloroacetic acid-(1-methyl-2-phenyl-ethylamide)
Conditions | Yield |
---|---|
With potassium carbonate In dichloromethane Ambient temperature; | 100% |
(-)-menthol
chloroacetyl chloride
(-)-menthyl chloroacetate
Conditions | Yield |
---|---|
In benzene Heating; | 100% |
With dmap; triethylamine In dichloromethane at 0 - 20℃; for 12h; Temperature; | 98.8% |
With pyridine In dichloromethane at 0 - 20℃; for 1.33333h; Inert atmosphere; | 98% |
Conditions | Yield |
---|---|
With dmap; triethylamine In dichloromethane at 0 - 20℃; Inert atmosphere; | 100% |
With potassium carbonate In acetone at 20℃; for 4h; | 98% |
With triethylamine In dichloromethane at 15℃; for 0.25h; | 98.55% |
chloroacetyl chloride
3-chloro-aniline
2-chloro-N-(3-chlorophenyl)acetamide
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 0 - 25℃; | 100% |
With triethylamine In dichloromethane at 0 - 25℃; | 100% |
In tetrahydrofuran at 20℃; for 18h; | 100% |
chloroacetyl chloride
3,5-Dichloroaniline
2-chloro-N-(3,5-dichlorophenyl)acetamide
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 0 - 25℃; | 100% |
With triethylamine In dichloromethane at 0 - 25℃; | 100% |
With triethylamine In dichloromethane at 20℃; for 5h; | 99% |
Conditions | Yield |
---|---|
In dichloromethane | 100% |
With triethylamine In dichloromethane at 0 - 20℃; for 4h; Inert atmosphere; | 98% |
With potassium carbonate In dichloromethane Heating; | 97% |
chloroacetyl chloride
4-fluoroaniline
2-chloro-N-(4-fluorophenyl)acetamide
Conditions | Yield |
---|---|
In ethyl acetate for 3h; Heating; | 100% |
With potassium hydrogencarbonate In Isopropyl acetate; water at 0 - 20℃; for 0.5h; | 95% |
With triethylamine In dichloromethane at 0 - 20℃; for 5h; Inert atmosphere; | 95% |
chloroacetyl chloride
1-acetyl-2-phenylhydrazine
2-acetyl-1-(2-chloroacetyl)phenylhydrazine
Conditions | Yield |
---|---|
In dichloromethane for 0.5h; | 100% |
With benzene |
chloroacetyl chloride
2-(3-methoxyphenyl)-1-ethanamine
N-chloroacetyl-N-(2-(3-methoxy-phenyl)-ethyl)-amine
Conditions | Yield |
---|---|
With potassium carbonate In dichloromethane Ambient temperature; | 100% |
With sodium hydrogencarbonate In dichloromethane at 0 - 20℃; for 2h; | 93% |
With triethylamine In dichloromethane at 0 - 20℃; for 2h; | 73% |
chloroacetyl chloride
Phentermin
2-chloro-N-(2-methyl-1-phenylpropan-2-yl)acetamide
Conditions | Yield |
---|---|
With potassium carbonate In dichloromethane Ambient temperature; | 100% |
6-methylbenzothiazol-2-ylamine
chloroacetyl chloride
2-chloro-N-(6-methylbenzothiazol-2-yl)acetamide
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 20℃; | 100% |
Stage #1: 6-methylbenzothiazol-2-ylamine With pyridine In benzene at 0 - 5℃; for 0.5h; Stage #2: chloroacetyl chloride In benzene for 2h; | 92% |
With triethylamine In chloroform at 20℃; for 2h; | 91% |
4-(4-chlorophenyl)-2-thiazolamine
chloroacetyl chloride
2-chloro-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
Conditions | Yield |
---|---|
Stage #1: 4-(4-chlorophenyl)-2-thiazolamine With triethylamine In dichloromethane at 0 - 5℃; for 0.5h; Stage #2: chloroacetyl chloride In dichloromethane at 0 - 20℃; for 2h; | 100% |
With pyridine for 6.5h; | 81% |
In benzene for 3h; Reflux; | 65% |
[2-(2-thyenyl)ethyl]amine
chloroacetyl chloride
2-chloro-N-(2-(thiophen-2-yl)ethyl)acetamide
Conditions | Yield |
---|---|
With potassium carbonate In dichloromethane Ambient temperature; | 100% |
With triethylamine In dichloromethane at 0℃; | 82% |
In benzene at 0℃; Reflux; |
2-(3-thienyl)ethylamine
chloroacetyl chloride
2-chloro-N-(2-(thiophen-3-yl)ethyl)acetamide
Conditions | Yield |
---|---|
With potassium carbonate In dichloromethane Ambient temperature; | 100% |
With triethylamine In dichloromethane at 0℃; | 2.2 g |
The Chloroacetyl chloride, with the CAS registry number 79-04-9 and EINECS registry number 201-171-6, has the systemtic name of chloroacetyl chloride. It is a kind of clear colourless liquid, and belongs to the following product categories: Pharmaceutical Intermediates; Halogen compounds; Organics; Acid Halides; Carbonyl Compounds; Organic Building Blocks. And the molecular formula of this chemical is C2H2Cl2O.
The physical properties of Chloroacetyl chloride are as followings: (1)ACD/LogP: 0.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.69; (4)ACD/LogD (pH 7.4): 0.69; (5)ACD/BCF (pH 5.5): 1.97; (6)ACD/BCF (pH 7.4): 1.97; (7)ACD/KOC (pH 5.5): 56.51; (8)ACD/KOC (pH 7.4): 56.51; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.43; (14)Molar Refractivity: 21.04 cm3; (15)Molar Volume: 81.4 cm3; (16)Polarizability: 8.34×10-24cm3; (17)Surface Tension: 31.9 dyne/cm; (18)Density: 1.386 g/cm3; (19)Flash Point: 34 °C; (20)nthalpy of Vaporization: 34.49 kJ/mol; (21)Boiling Point: 106 °C at 760 mmHg; (22)Vapour Pressure: 28.8 mmHg at 25°C.
Preparation and uses: It can be produced by the carbonylation of methylene chloride, oxidation of vinylidene chloride, or the addition of chlorine to ketene in industrial. And it may also be prepared from chloroacetic acid and thionyl chloride, phosphorus pentachloride, or phosgene. It is usually used as an intermediate in the production of alachlor and butachlor, and it is also used as a tear gas.
You should be cautious while dealing with this chemical. It reacts violently with water, and toxic by inhalation, in contact with skin and if swallowed. It may cause severe burns, and has risk of serious damage to health by prolonged exposure through inhalation. It is also very toxic to aquatic organisms. Therefore, you had better take the following instructions: Keep container in a well-ventilated place; Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible); Keep container tightly closed and dry; Avoid release to the environment. Refer to special instructions safety data sheet.
You can still convert the following datas into molecular structure:
(1)SMILES: C(C(=O)Cl)Cl
(2)InChI: InChI=1S/C2H2Cl2O/c3-1-2(4)5/h1H2
(3)InChIKey: VGCXGMAHQTYDJK-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LC50 | inhalation | 1300ppm/2H (1300ppm) | "Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986Vol. 5, Pg. 123(89), 1986. | |
mouse | LD50 | intravenous | 32mg/kg (32mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04538, | |
mouse | LD50 | oral | 220mg/kg (220mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 54(2), Pg. 90, 1989. | |
rabbit | LDLo | skin | 316mg/kg (316mg/kg) | "Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986Vol. 5, Pg. 123(89), 1986. | |
rat | LC50 | inhalation | 660ppm/1H (660ppm) | National Technical Information Service. Vol. OTS0555574, | |
rat | LD50 | oral | 208mg/kg (208mg/kg) | "Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986Vol. 5, Pg. 123(89), 1986. | |
rat | LD50 | skin | 662mg/kg (662mg/kg) | SKIN AND APPENDAGES (SKIN): CORROSIVE: AFTER TOPICAL EXPOSURE | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 54(2), Pg. 90, 1989. |
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