CAS No.75-87-6,Trichloroacetaldehyde Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	75-87-6
Name:	Trichloroacetaldehyde
Article Data:	138
Cas Database

Formula:	C₂HCl₃O
Molecular Weight:	147.388
Synonyms:	Acetaldehyde,trichloro- (9CI);Chloral (8CI);2,2,2-Trichloroacetaldehyde;2,2,2-Trichloroethanal;Anhydrous chloral;Grasex;Sporotal 100;Trichloroacetaldehyde;Trichloroethanal;
EINECS:	200-911-5
Density:	1.5121 g/cm³
Melting Point:	-57.5°C
Boiling Point:	97.8 °C at 760 mmHg
Flash Point:	14.9 °C
Solubility:	forms soluble hydrate in water; miscible with ethanol, diethyl ether and chloroform
Appearance:	colourless oily liquid with a pungent odour
Hazard Symbols:	T
Risk Codes:	23-36/37/38
Safety:	26-36/37-45-7/9
Transport Information:	UN 2075
PSA:	17.07000
LogP:	1.55550

Synthetic route

: 16967-79-6
trichloroethylene epoxide

: 75-87-6
chloral

Conditions

Conditions	Yield
With sulfuric acid at 100℃; for 2h;	100%
iron(III) chloride at 60℃; for 1h; sealed tube; Yield given;

: 302-17-0
chloral hydrate

: 75-87-6
chloral

Conditions

Conditions	Yield
With phosphorus pentoxide; sulfuric acid	99%
With diethyl ether; water; chlorine at 80℃;
With sulfuric acid

: 76-02-8
Trichloroacetyl chloride

: 75-87-6
chloral

Conditions

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.

: 98015-52-2
1,2,2,2-Tetrachloroethyl tert-Butyl Carbonate

: 147-85-3
L-proline

A: 15761-39-4
1-(tert-butoxycarbonyl)-L-proline

B: 75-87-6
chloral

Conditions

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

...Expand

: 123-63-7
paracetaldehyde

A: 107-20-0
2-chloroethanal

B: 79-02-7
2,2-dichloroacetaldehyde

C: 75-87-6
chloral

Conditions

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%

...Expand

: 73501-02-7
5-(p-methoxyphenyl)-2-trichloromethyl-1,3,4-oxathiazole

: 623-47-2
propynoic acid ethyl ester

A: 76162-57-7
ethyl 3-(p-methoxyphenyl)isothiazole-4-carboxylate

B: 76162-58-8
ethyl 3-(p-methoxyphenyl)isothiazole-5-carboxylate

C: 75-87-6
chloral

D: 874-90-8
4-methoxybenzonitrile

E S: S

Conditions

Conditions	Yield
In 1,3,5-trimethyl-benzene at 161℃; for 19h;	A 17% B 13% C n/a D 68% E n/a

...Expand

: 79-01-6
Trichloroethylene

: 75-87-6
chloral

Conditions

Conditions	Yield
With tetrachloromethane; chlorine monoxide at -20℃;
With hypochloric acid

: 79-01-6
Trichloroethylene

A: 79-36-7
dichloroacethyl chloride

B: 75-87-6
chloral

Conditions

Conditions	Yield
With oxygen Umsetzung der bis 107grad siedenden Anteile des Reaktionsprodukts mit Metallchloriden wie SbCl5,FeCl3 oder AlCl3;

: 599-97-3
1,1,1-trichloro-2,2-diethoxy-ethane

: 75-87-6
chloral

Conditions

Conditions	Yield
With sulfuric acid at 150℃;
at 200℃;

: 2000-40-0
(2,2,2-trichloro-1-hydroxyethyl)urea

A: 75-87-6
chloral

B: 108-80-5
isocyanuric acid

Conditions

Conditions	Yield
at 150℃;

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Consensus Reports

Reported in EPA TSCA Inventory.

Standards and Recommendations

DOT Classification: 6.1; Label: Poison

Specification

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