ChemicalBook CAS DataBase List 98-59-9

98-59-9

Name	Tosyl chloride
CAS	98-59-9
EINECS(EC#)	202-684-8
Molecular Formula	C7H7ClO2S
MDL Number	MFCD00007450
Molecular Weight	190.65
MOL File	98-59-9.mol

Synonyms

4-METHYLBENZENESULFONYL CHLORIDE 4-METHYLBENZENESULPHONYL CHLORIDE 4-toluene sulfochloride 4-TOLUENESULFONYL CHLORIDE 4-Toluolsulfonyl chloride AKOS BBS-00004428 PARA TOLUENE SULFONYL CHLORIDE P-TOLUENESULFOCHLORIDE P-TOLUENESULFONYL CHLORIDE P-TOLUENESULPHONYL CHLORIDE p-tosyl chloride PTSC TOLUENE-4-SULFONYL CHLORIDE TOS-CL TOSYL CHLORIDE 4-methyl-benzenesulfonylchlorid 4-toluenesulfonicacid,chloride 4-Tosyl chloride Benzenesulfonylchloride,4-methyl- m-methylbenzenesulfonylchloride

Chemical Properties

Appearance	White to yellow solid
Melting point	65-69 °C(lit.)
Boiling point	134 °C10 mm Hg(lit.)
bulk density	800kg/m3
density	1,006 g/cm³
vapor pressure	1 mm Hg ( 88 °C)
RTECS	DB8929000
Fp	128 °C
storage temp.	Store at RT.
solubility	methylene chloride: 0.2 g/mL, clear
form	Crystalline Powder
color	White
Stability:	Stable. Substances to be avoided include strong bases and strong oxidizing agents and water. Moisture sensitive.
Water Solubility	hydrolyses
Sensitive	Moisture Sensitive
Merck	14,9534
BRN	607898
Henry's Law Constant	1.0×10⁰ mol/(m³Pa) at 25℃, Zhang et al. (2010)
InChI	1S/C7H7ClO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3
Contact allergens	Tosyl chloride is used mainly in the preparation of chemical derivatives in the pharmaceutical, plastics, and organic chemical industries. less more
InChIKey	YYROPELSRYBVMQ-UHFFFAOYSA-N
SMILES	Cc1ccc(cc1)S(Cl)(=O)=O
CAS DataBase Reference	98-59-9(CAS DataBase Reference)
NIST Chemistry Reference	Benzenesulfonyl chloride, 4-methyl-(98-59-9)
Storage Precautions	Moisture sensitive
EPA Substance Registry System	98-59-9(EPA Substance)

Safety Data

Symbol(GHS)	GHS05,GHS07
Signal word	Danger
Hazard statements	H290-H315-H317-H318
Precautionary statements	P234-P261-P264-P280-P302+P352-P305+P351+P338
Hazard Codes	C
Risk Statements	R34:Causes burns. R29:Contact with water liberates toxic gas. less more
Safety Statements	S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . S27:Take off immediately all contaminated clothing . less more
RIDADR	UN 3261 8/PG 2
WGK Germany	1
F	9-21
Hazard Note	Corrosive
TSCA	Yes
REACH Registrations	Active
HazardClass	8
PackingGroup	II
HS Code	29049020
Storage Class	8A - Combustible corrosive hazardous materials
Hazard Classifications	Eye Dam. 1 Met. Corr. 1 Skin Irrit. 2 Skin Sens. 1
Hazardous Substances Data	98-59-9(Hazardous Substances Data)
Toxicity	LD50 orally in Rabbit: 4680 mg/kg less more

Raw materials And Preparation Products

Hazard Information

Uses

It can be used for organic synthesis, for example: dyes, saccharin,etc.

General Description

A white to gray powdered solid with a distinctive odor. Insoluble in water and denser than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion, inhalation and skin absorption. Used to make other chemicals.

Air & Water Reactions

Insoluble in water.

Health Hazard

TOXIC; inhalation, ingestion or skin contact with material may cause severe injury or death. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution.

Fire Hazard

Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes. Some are oxidizers and may ignite combustibles (wood, paper, oil, clothing, etc.). Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated.

Preparation

Tosyl chloride is a by-product from the production of ortho-toluenesulfonyl chloride (a precursor for the synthesis of the common food additive and catalyst saccharin), via the chlorosulfonation of toluene:
CH3C6H5+ SO2Cl2→ CH3C6H4SO2Cl + HCl

Flammability and Explosibility

Nonflammable

Purification Methods

Material that has been standing for a long time contains tosic acid and HCl and has m ca 65-68o. It is purified by dissolving (10g) in the minimum volume of CHCl3 (ca 25mL) filtered, and diluted with five volumes (i.e. 125mL) of pet ether (b 30-60o) to precipitate impurities. The solution is filtered, clarified with charcoal and concentrated to 40mL by evaporation. Further evaporation to a very small volume gives 7g of white crystals which are analytically pure, m 67.5-68.5o. (The insoluble material is largely tosic acid and has m 101-104o.) [Pelletier Chem Ind (London) 1034 1953.] It also crystallises from toluene/pet ether in the cold, from pet ether (b 40-60o) or *benzene. Its solution in diethyl ether has been washed with aqueous 10% NaOH until colourless, then dried (Na2SO4) and crystallised by cooling in powdered Dry-ice. It has also been purified by dissolving in *benzene, washing with aqueous 5% NaOH , then dried with K2CO3 or MgSO4, and distilled under reduced pressure and can be sublimed at high vacuum [Ebel Chem Ber 60 20861927]. [Beilstein 11 IV 375.]

Material Safety Data Sheet(MSDS)

Questions And Answer

Spectrum Detail

Well-known Reagent Company Product Information

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98-59-9

Chemical Properties

Safety Data

Raw materials And Preparation Products

Raw materials

Preparation Products

Hazard Information

Uses

General Description

Air & Water Reactions

Health Hazard

Fire Hazard

Preparation

Flammability and Explosibility

Purification Methods

Material Safety Data Sheet(MSDS)

Questions And Answer

Reaction

Chemical Properties

Usage

Production method

Spectrum Detail

Well-known Reagent Company Product Information

Supplier

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