CAS No.79-37-8,Oxalyl chloride Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	79-37-8
Name:	Oxalyl chloride
Article Data:	37
Cas Database

Formula:	C₂Cl₂O₂
Molecular Weight:	126.927
Synonyms:	Oxalyl chloride (6CI,8CI);Ethanedioylchloride;Oxalic acid chloride;Oxalic acid dichloride;Oxalic dichloride;Oxaloyl chloride;Oxaloyldichloride;Oxalyl dichloride;Ethanedioyl dichloride;
EINECS:	201-200-2
Density:	1.335
Melting Point:	-10--8 °C(lit.)
Boiling Point:	63.5 °C at 760 mmHg
Flash Point:	4.5 °C
Solubility:	reacts with water
Appearance:	colourless liquid with a pungent odour
Hazard Symbols:	C, T
Risk Codes:	14-20-29-34-40-23/24/25-37-35
Safety:	26-36/37/39-43-45-8-24/25-23-27
Transport Information:	UN 2927 6.1/PG 2
PSA:	34.14000
LogP:	0.51720

Synthetic route

: 95-92-1
oxalic acid diethyl ester

A: 79-37-8
oxalyl dichloride

B: 75-00-3
chloroethane

C: 63938-37-4
1,2-diethoxy-tetrachloro-ethane

D: 98019-44-4
ethoxy-dichloro-acetyl chloride

E: 4755-77-5
Ethyl oxalyl chloride

Conditions

Conditions	Yield
With phosphorus pentachloride; manganese(ll) chloride at 90℃; for 5h; Product distribution; other catalysts (CuCl2, ZnCl2, CdCl2, CrCl3, FeCl3, CoCl2, PdCl2) and temperatures (from 70 to 130 deg C);	A n/a B n/a C n/a D n/a E 83.7%

...Expand

: 446-32-2
4-fluoroanthranilic acid

: 79-37-8
oxalyl dichloride

Conditions

Conditions	Yield
In formamide at 150℃; for 6h;	82%

: 133349-02-7
tetrachloro-1,4-dioxin

A: 79-37-8
oxalyl dichloride

B: 133349-07-2
2,3-epoxy-2,3,5,6-tetrachloro-2,3-dihydro-1.4-dioxin

C phosgene: phosgene

Conditions

Conditions	Yield
With oxygen at 28 - 40℃; under 500 - 600 Torr;	A n/a B 32% C n/a
With oxygen at 28 - 40℃; under 500 - 600 Torr;	A n/a B 32% C n/a

...Expand

: 110-86-1
pyridine

: 98020-90-7
bis(trichloromethyl) oxalate

: 108-90-7
chlorobenzene

A: 75-44-5
phosgene

B: 79-37-8
oxalyl dichloride

...Expand

: 63938-37-4
1,2-diethoxy-tetrachloro-ethane

A: 79-37-8
oxalyl dichloride

B: 75-00-3
chloroethane

C: 98019-44-4
ethoxy-dichloro-acetyl chloride

Conditions

Conditions	Yield
at 165℃;

...Expand

: 98020-90-7
bis(trichloromethyl) oxalate

: 79-37-8
oxalyl dichloride

Conditions

Conditions	Yield
With pyridine; chlorobenzene

: 144-62-7
oxalic acid

: 79-37-8
oxalyl dichloride

Conditions

Conditions	Yield
With phosphorus pentachloride; trichlorophosphate
With phosphorus pentachloride
With phosphorus pentachloride

: 95-92-1
oxalic acid diethyl ester

: 79-37-8
oxalyl dichloride

Conditions

Conditions	Yield
With phosphorus pentachloride beim Erhitzen;

: 127-18-4
1,1,2,2-tetrachloroethylene

: 79-37-8
oxalyl dichloride

Conditions

Conditions	Yield
With pyridine; osmium(VIII) oxide 1) n-hexane, r.t., 2) 150 deg C; Yield given. Multistep reaction;

: 10026-13-8, 874483-75-7
phosphorus pentachloride

: 144-62-7
oxalic acid

: 79-37-8
oxalyl dichloride

Raw Materials

79-01-6

110-86-1

144-62-7

446-32-2

95-92-1

10026-13-8

127-18-4

108-90-7

Downstream Products

54256-43-8

927-49-1

608-05-9

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Specification

The Oxalyl chloride, with the CAS registry number 79-37-8,is also known as Oxalyl dichloride; Ethanedioyl dichloride. It belongs to the product categories of Synthetic Organic Chemistry;Others;Oxidation;Synthetic Reagents;Agrochemicals. Its EINECS number is 201-200-2. This chemical's molecular formula is C₂Cl₂O₂ and molecular weight is 126.93. What's more,Its systematic name is Oxalyl chloride.It is a colourless liquid with a pungent odour,Stable,incompatible with bases,alcohols,steel,oxidizing agents,alkali metals,moisture sensitive,reacts violently with water,liberating toxic gas.Oxalyl chloride can be prepared by treating oxalic acid with phosphorus pentachloride.

Physical properties about Oxalyl chloride are:
(1)ACD/LogP: 0.257; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.26; (4)ACD/LogD (pH 7.4): 0.26; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 32.89; (8)ACD/KOC (pH 7.4): 32.89; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.449; (13)Molar Refractivity: 21.072 cm3; (14)Molar Volume: 78.558 cm3; (15)Surface Tension: 40.9589996337891 dyne/cm; (16)Density: 1.616 g/cm3; (17)Flash Point: 4.532 °C; (18)Enthalpy of Vaporization: 30.568 kJ/mol; (19)Boiling Point: 63.5 °C at 760 mmHg; (20)Vapour Pressure: 170.671005249023 mmHg at 25°C;

You can still convert the following datas into molecular structure:
(1)SMILES:ClC(=O)C(Cl)=O;
(2)Std. InChI:InChI=1S/C2Cl2O2/c3-1(5)2(4)6;
(3)Std. InChIKey:CTSLXHKWHWQRSH-UHFFFAOYSA-N;

Uses of Oxalyl chloride:
Oxalyl chloride is a useful reagent in organic synthesis. It is mainly used in organic synthesis for the preparation of acid chlorides from the corresponding carboxylic acids. Oxalyl chloride tends to be a milder, more selective reagent. Oxalyl chloride reacts with aromatic compounds in the presence of aluminium chloride to give the corresponding acid chloride in a process known as a Friedel-Crafts acylation. The resulting acid chloride can be hydrolysed in water to form the corresponding carboxylic acid. The combination of DMSO, oxalyl chloride and triethylamine converts alcohols to the corresponding aldehydes and ketones via the process known as the Swern oxidation. Oxalyl chloride was reportedly used in the first syhthesis of dioxane tetraketone (C4O6), a novel oxide of carbon.

Safety Information of Oxalyl chloride:
(1)Reacts violently with water; (2)Harmful by inhalation; (3)Contact with water liberates toxic gas; (4)Causes burns; (5)Limited evidence of a carcinogenic effect; (6)Toxic by inhalation, in contact with skin and if swallowed; (7)Irritating to respiratory system; (8)Causes severe burns; (9)In case of contact with eyes, rinse immediately with plenty of water and seek medical advice; (10)Wear suitable protective clothing, gloves and eye/face protection; (11)In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.); (12)Keep container dry; (13)Avoid contact with skin and eyes; (14)Do not breathe vapour; (15)Take off immediately all contaminated clothing.

The toxicity data of Oxalyl chloride as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LC50	inhalation	1840ppm/1H (1840ppm)	SENSE ORGANS AND SPECIAL SENSES: CORNEAL DAMAGE: EYE GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS LUNGS, THORAX, OR RESPIRATION: DYSPNEA	American Industrial Hygiene Association Journal. Vol. 56, Pg. 74, 1995.