trichloroethylene epoxide
chloral
Conditions | Yield |
---|---|
With sulfuric acid at 100℃; for 2h; | 100% |
iron(III) chloride at 60℃; for 1h; sealed tube; Yield given; |
Conditions | Yield |
---|---|
With phosphorus pentoxide; sulfuric acid | 99% |
With diethyl ether; water; chlorine at 80℃; | |
With sulfuric acid |
Conditions | Yield |
---|---|
With sodium tris(tert-butoxo)aluminium hydride In tetrahydrofuran; diethylene glycol dimethyl ether at -78℃; for 1h; | 91% |
With ammonium hydroxide; formic acid In diethyl ether; chloroform for 0.75h; Ambient temperature; | 76% |
Stage #1: trifluoroacetyl chloride With aluminium hydride In tetrahydrofuran at 20℃; for 1h; Metallation; Stage #2: With pyridinium chlorochromate In tetrahydrofuran; dichloromethane at 20℃; for 6h; Oxidation; | 95 % Chromat. |
1,2,2,2-Tetrachloroethyl tert-Butyl Carbonate
L-proline
A
1-(tert-butoxycarbonyl)-L-proline
B
chloral
Conditions | Yield |
---|---|
With triethylamine In 1,4-dioxane; water at 20℃; for 5h; Product distribution; var. amines, other 1-chloroalkyl carbonate, other basic reagent and time; | A 91% B n/a |
paracetaldehyde
A
2-chloroethanal
B
2,2-dichloroacetaldehyde
C
chloral
Conditions | Yield |
---|---|
With antimony(III) chloride; chlorine at 10 - 80℃; for 18h; Product distribution; var. catalysts, var. time; | A 0.7% B 71.3% C 2.6% |
5-(p-methoxyphenyl)-2-trichloromethyl-1,3,4-oxathiazole
propynoic acid ethyl ester
A
ethyl 3-(p-methoxyphenyl)isothiazole-4-carboxylate
B
ethyl 3-(p-methoxyphenyl)isothiazole-5-carboxylate
C
chloral
D
4-methoxybenzonitrile
Conditions | Yield |
---|---|
In 1,3,5-trimethyl-benzene at 161℃; for 19h; | A 17% B 13% C n/a D 68% E n/a |
Conditions | Yield |
---|---|
With tetrachloromethane; chlorine monoxide at -20℃; | |
With hypochloric acid |
Conditions | Yield |
---|---|
With oxygen Umsetzung der bis 107grad siedenden Anteile des Reaktionsprodukts mit Metallchloriden wie SbCl5,FeCl3 oder AlCl3; |
Conditions | Yield |
---|---|
With sulfuric acid at 150℃; | |
at 200℃; |
Conditions | Yield |
---|---|
at 150℃; |
Conditions | Yield |
---|---|
at 210 - 290℃; Kinetics; |
2-(2,2,2-trichloro-1-hydroxy-ethyl)-acetoacetic acid ethyl ester
A
ethyl acetoacetate
B
chloral
Conditions | Yield |
---|---|
Erhitzen; |
N,N'-bis-(2,2,2-trichloro-1-hydroxy-ethyl)-oxalamide
A
Oxalamide
B
chloral
N,N'-(1,3-bis-trichloromethyl-2-oxa-propanediyl)-bis-carbamic acid dimethyl ester
chloral
Conditions | Yield |
---|---|
at 200℃; |
Conditions | Yield |
---|---|
at 220℃; |
3-acridin-9-yl-1,1,1-trichloro-propan-2-ol
A
9-methyl-acridine
B
chloral
Conditions | Yield |
---|---|
beim Erhitzen; |
Conditions | Yield |
---|---|
at 240℃; |
N-phenyl-N'-(2,2,2-trichloro-1-hydroxy-ethyl)-oxalamide
A
oxanilic acid
B
chloral
chloral allyl hemiacetal
benzyl chloride
A
vinyl benzoate
B
chloral
ethanol
1-[(E)-benzylideneamino]-2,2,2-trichloroethanol
phenyl isothiocyanate
A
benzaldehyde
B
chloral
C
monophenylthiourea
Conditions | Yield |
---|---|
With water Chlorieren; | |
With hydrogenchloride; chlorine | |
With antimony(III) chloride; chlorine | |
With chlorine at 250℃; under 760.051 Torr; Industry scale; |
2-pyrrolidinon
chloral
2,2,2-trichloro-1-(2-oxo-1-aza-1-cyclopentyl)ethanol
Conditions | Yield |
---|---|
In benzene for 2h; Heating; | 100% |
piperidin-2-one
chloral
1-(2,2,2-Trichloro-1-hydroxy-ethyl)-piperidin-2-one
Conditions | Yield |
---|---|
In benzene for 2h; Heating; | 100% |
L-Tartaric acid
chloral
(R,R)-Tartaric acid chloralide
Conditions | Yield |
---|---|
With sulfuric acid for 0.5h; Ambient temperature; | 100% |
2,2,2-tribromo-1,3,2-benzodioxaphosphole
chloral
5-bis(1-bromo-2',2',2'-trichloroethoxy)-2,3-benzo-1,4,6-trioxa-7-bromo-8,8,8-trichloro-5-phospha<4>octane
Conditions | Yield |
---|---|
In dichloromethane at -40 - 25℃; for 4h; | 100% |
With bromine In dichloromethane - 60 to 20 deg C; |
2,2,3,3-Tetrafluoropropyl difluorophosphite
chloral
bis(1-bromo-2,2,2-trichloroethoxy)difluoro(2,2,3,3-tetrafluoropropoxy)phosphorane
Conditions | Yield |
---|---|
With bromine In dichloromethane 1.) CH2Cl2, -60 deg C, 2.a) to 15 deg C, 6 h, b) 10-15 deg C; | 100% |
chloral
2-(2,2,3,3-Tetrafluoro-propoxy)-[1,3,2]dioxaphosphinane
1,1,3-trihydroperfluoropropyl-2,2-dichlorovinyl-3-chloropropyl phosphate
Conditions | Yield |
---|---|
In dichloromethane at 50℃; for 0.5h; | 100% |
chloral
N-hydroxybenzenecarboximidamide
O-(2,2,2-Trichloro-1-hydroxyethyl)benzamidoxime
Conditions | Yield |
---|---|
In diethyl ether for 4h; Heating; | 100% |
chloral
Conditions | Yield |
---|---|
In dichloromethane at 0 - 10℃; | 100% |
Conditions | Yield |
---|---|
In chloroform at 10 - 15℃; for 12h; | 100% |
Conditions | Yield |
---|---|
In neat (no solvent) addn. of tributyltin alkoxide to aldehyde (1:1 mole ratio) at 33°C; proved by NMR; | 100% |
In neat (no solvent) addn. of tributyltin alkoxide to aldehyde (1:1 mole ratio) at 33°C; proved by NMR; | 100% |
1:1.1; | 85-100 |
tributyltin ethoxide
chloral
2.2.2-Trichlor-1-ethoxy-1-(tributyl-stannoxy)-ethan
Conditions | Yield |
---|---|
In tetrachloromethane addn. of tributyltin alkoxide to aldehyde (1:1 mole ratio) at 33°C; proved by NMR; | 100% |
In tetrachloromethane addn. of tributyltin alkoxide to aldehyde (1:1 mole ratio) at 33°C; proved by NMR; | 100% |
tri-n-butyl(cyanomethyl)stannane
chloral
<1-Trichlormethyl-2-cyanethoxy>-tributylzinn
Conditions | Yield |
---|---|
at room temp. for 16 h; | 100% |
at room temp. for 16 h; | 100% |
1,1-diphenyl-N-(tributylstannyl)methanimine
chloral
(C4H9)3SnOCH(CCl3)NC(C6H5)2
Conditions | Yield |
---|---|
100% | |
100% |
chloral
Conditions | Yield |
---|---|
In neat (no solvent) 1:1.2 mole ratio of (C4H9)3Sn-amine and CCl3CHO at room temp or 55°C; proved by NMR; | 100% |
In tetrachloromethane 1:1.2 mole ratio of (C4H9)3Sn-amine and CCl3CHO at room temp or 55°C; proved by NMR; | 100% |
In tetrachloromethane 1:1.2 mole ratio of (C4H9)3Sn-amine and CCl3CHO at room temp or 55°C; proved by NMR; | 100% |
In neat (no solvent) 1:1.2 mole ratio of (C4H9)3Sn-amine and CCl3CHO at room temp or 55°C; proved by NMR; | 100% |
5-(p-methoxyphenyl)-2-trichloromethyl-1,3,4-oxathiazole
dimethyl acetylenedicarboxylate
A
chloral
B
4-methoxybenzonitrile
C
dimethyl 3-(p-methoxyphenyl)isothiazole-4,5-dicarboxylate
Conditions | Yield |
---|---|
In 1,3,5-trimethyl-benzene at 161℃; for 18h; | A n/a B 33% C 60% D n/a |
thirane
2,2-dimethyl-4-trichloromethyl-1,3,2-dioxagermenate
A
2,2-Dimethyl-2-germa-1-oxa-3-thia-cyclopentan
B
chloral
Conditions | Yield |
---|---|
at 100°C;; | A 45% B n/a |
at 20°C;; | A <1 B n/a |
oxirane
2,2-dimethyl-4-trichloromethyl-1,3,2-dioxagermenate
A
dimethyl-2,2 germa-2 dioxolane-1,3
B
chloral
Conditions | Yield |
---|---|
at 100°C;; | A 15% B n/a |
at 20°C;; | A <1 B n/a |
Conditions | Yield |
---|---|
With sulfuryl dichloride at 300℃; | |
With sulfuryl dichloride at 300℃; |
Conditions | Yield |
---|---|
at 157℃; | |
at 198℃; |
Conditions | Yield |
---|---|
Chlorierung; | |
With water; chlorine Bildung des krystallisierten Chloralhydrats; | |
Chlorieren; |
ethyl-(1,2,2,2-tetrachloro-ethyl)-ether
chloral
Conditions | Yield |
---|---|
With sulfuric acid durch Destillieren; | |
With water at 100℃; |
Conditions | Yield |
---|---|
With hydrogen azide In chloroform at -50 - 20℃; for 48h; | 100% |
chloral
1,3-Dibutyl-2-ethoxy-4,5-dimethyl-2,3-dihydro-1H-[1,3,2]diazaphosphole
Conditions | Yield |
---|---|
In diethyl ether for 24h; | 99.6% |
Conditions | Yield |
---|---|
With hydroxyammonium sulfate; sodium sulfate In water at 60 - 80℃; for 2h; | 99% |
With hydroxylamine hydrochloride; sodium sulfate In water for 0.05h; Condensation; substitution; microwave irradiation; | 82% |
With hydrogenchloride; hydroxylamine hydrochloride; sodium sulfate In water at 90℃; for 0.166667h; | 27% |
4-chloro-aniline
chloral
N-(4-chlorophenyl)-2-(hydroxyimino)ethanamide
Conditions | Yield |
---|---|
With hydroxyammonium sulfate; sodium sulfate In water at 70 - 80℃; for 3h; | 99% |
With hydroxylamine | |
With hydrogenchloride; hydroxylamine hydrochloride; sodium sulfate In water at 85℃; for 2.5h; | |
With hydrogenchloride; hydroxylamine hydrochloride; sodium sulfate In water for 1h; Reflux; | |
With hydroxylamine hydrochloride; sodium sulfate In water |
phenoxymethylpenicillin sulfoxide
tert-butylisonitrile
chloral
Penicillin-V-sulfoxid-1'-tert-butylaminocarbonyl-2',2',2'-trichlorethylester
Conditions | Yield |
---|---|
In tetrahydrofuran; dichloromethane Ambient temperature; | 99% |
Conditions | Yield |
---|---|
In ethanol for 2.5h; Addition; Heating; | 99% |
chloral
(5E)-2-methyl-6-phenylhex-5-en-3-yn-2-ol
Conditions | Yield |
---|---|
Stage #1: (5E)-2-methyl-6-phenylhex-5-en-3-yn-2-ol With (o,o'-biphenylenedioxy)methylaluminium In hexane; dichloromethane at 20℃; for 0.5h; Stage #2: chloral In hexane; dichloromethane at 20℃; for 5h; Meerwein-Ponndorf-Verley alkynylation; | 99% |
5-bromo-2-pyridinecarboxamide
chloral
5-bromo-N-(2,2,2-trichloro-1-hydroxyethyl)picolinamide
Conditions | Yield |
---|---|
In 1,4-dioxane at 100℃; | 99% |
In 1,4-dioxane at 100℃; |
4-acryloyloxy-2,2,6,6-tetramethylpiperidine-1-oxyl
chloral
4-(2-((trichloromethyl)hydroxymethyl)acryloyloxy)-2,2,6,6-tetramethylpiperidine-1-oxyl
Conditions | Yield |
---|---|
With Quinuclidine; methanol In tetrahydrofuran at 20℃; for 26h; Morita-Baylis-Hillman Alkylation; Inert atmosphere; | 99% |
methylene bis phosphonate de diethyle
chloral
methylenebis(O-ethyl-O-β,β-dichlorovinylphosphonate)
Conditions | Yield |
---|---|
In diethyl ether 1) -70 deg C, 2) RT; | 98% |
chloral
1-methyl-6-phenyl-1H-imidazo[1,2-a]imidazole
2,2,2-Trichloro-1-(7-methyl-2-phenyl-7H-imidazo[1,2-a]imidazol-3-yl)-ethanol
Conditions | Yield |
---|---|
In benzene for 15h; Ambient temperature; | 98% |
chloral
Conditions | Yield |
---|---|
In 1,4-dioxane at 15 - 25℃; for 2h; | 98% |
chloral
3-bromo-1-adamantyl-2'-adamantylphosphine oxide
Conditions | Yield |
---|---|
at 80℃; for 2h; | 98% |
chloral
perfluorobutanoyl diisopropyl phosphite
Conditions | Yield |
---|---|
at 20℃; | 98% |
The Chloral, with the CAS registry number 75-87-6, is also known as Acetaldehyde, trichloro-. Its EINECS registry number is 200-911-5. This chemical's molecular formula is C2HCl3O and molecular weight is 147.38774. Its IUPAC name is called Trichloroethanal. This chemical's classification codes are Drug / Therapeutic Agent; Mutation Data; Tumor Data.
Physical properties of Chloral: (1)ACD/LogP: 1.61; (2)ACD/LogD (pH 5.5): 1.61; (3)ACD/LogD (pH 7.4): 1.61; (4)ACD/BCF (pH 5.5): 9.85; (5)ACD/BCF (pH 7.4): 9.85; (6)ACD/KOC (pH 5.5): 178.99; (7)ACD/KOC (pH 7.4): 178.99; (8)#H bond acceptors: 1; (9)Index of Refraction: 1.471; (10)Molar Refractivity: 26.01 cm3; (11)Molar Volume: 93 cm3; (12)Surface Tension: 37.9 dyne/cm; (13)Density: 1.583 g/cm3; (14)Flash Point: 14.9 °C; (15)Enthalpy of Vaporization: 33.73 kJ/mol; (16)Boiling Point: 97.8 °C at 760 mmHg; (17)Vapour Pressure: 41.1 mmHg at 25°C.
Preparation: Chloral can be produced by chlorination of ethanol, as reported in 1832 by Justus von Liebig. Chloral can also be produced by the reaction of acetaldehyde with chlorine by replacement of the hydrogen atoms of the methyl group. Chlorine reacts with acetaldehyde at room temperature to give mono-chloroacetaldehyde. Increasing the temperature to 70 to 80 °C gives dichloroacetaldehyde, and at a temperature of 80 to 90 °C trichloroacetadehyde, (chloral) is formed.
CH3CH=O + Cl2 → CH2ClCH=O + HCl
CH2ClCH=O + Cl2 → CHCl2CH=O + HCl
CHCl2CH=O + Cl2 → CCl3CH=O + HCl
Uses of Chloral: This chemical is widely used as sedative and hypnotic substance. Chloral is also used to form chloroform by treating it with sodium hydroxide. It is treated with chlorobenzene in the presence of a catalytic amount of sulfuric acid:
Cl3CCHO + 2 C6H5Cl → Cl3CCH(C6H4Cl)2 + H2O
When you are using this chemical, please be cautious about it as the following:
This chemical that at low levels can cause damage to health. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing and gloves.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(=O)C(Cl)(Cl)Cl
(2)InChI: InChI=1S/C2HCl3O/c3-2(4,5)1-6/h1H
(3)InChIKey: HFFLGKNGCAIQMO-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
dog | LC50 | inhalation | 5900mg/m3/4H (5900mg/m3) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA | National Technical Information Service. Vol. OTS0571197, |
mammal (species unspecified) | LD50 | oral | 710mg/kg (710mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 39(4), Pg. 86, 1974. | |
mouse | LD50 | intraperitoneal | 600mg/kg (600mg/kg) | Bollettino Chimico Farmaceutico. Vol. 111, Pg. 293, 1972. | |
rat | LC50 | inhalation | 440mg/m3/4H (440mg/m3) | SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA | National Technical Information Service. Vol. OTS0533728 |
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