ChemicalBook CAS DataBase List 88-19-7

88-19-7

Name	2-Methylbenzene-1-sulfonamide
CAS	88-19-7
EINECS(EC#)	200-741-1
Molecular Formula	C7H9NO2S
MDL Number	MFCD00011692
Molecular Weight	171.22
MOL File	88-19-7.mol

Synonyms

2-METHYLBENZENE-1-SULFONAMIDE 2-METHYLBENZENESULFONAMIDE 2-TOLUENESULFONAMIDE 4-METHYLBENZENESULFONAMIDE 4-TOLUENESULFONAMIDE 4-TOLUENESULFONIC ACID AMIDE o-Methylbenzenesulfonamide O-TOLUENESULFONAMIDE O-TOLUENESULFONEAMIDE OTSA PASAM p/m-Toluene sulfonamide P-TOLUENESULFONAMIDE P-TOLUENESULFONYLAMIDE P-TOLUENESULPHONAMIDE PTSA TOLUENE-2-SULFONAMIDE TOLUENE-4-SULFONAMIDE TOLUENE-4-SULPHONAMIDE TOLUENE SULFONAMIDE

Chemical Properties

Appearance	Colorless crystals. Soluble in alcohol; slightly soluble in water and ether. Combustible.
Melting point	156-158 °C (lit.)
Boiling point	221 °C
density	1.2495 (rough estimate)
vapor pressure	0-0.008Pa at 25℃
refractive index	1.6100 (estimate)
Fp	178°C
storage temp.	Sealed in dry,Room Temperature
solubility	DMSO (Slightly), Methanol (Very Slightly, Heated)
form	neat
pka	10.17±0.60(Predicted)
color	White to Off-White
Water Solubility	Soluble in water (1.6 g/L at 25°C).
BRN	1102362
Henry's Law Constant	2.1×10¹ mol/(m³Pa) at 25℃, HSDB (2015)
Cosmetics Ingredients Functions	PLASTICISER
InChI	1S/C7H9NO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
InChIKey	YCMLQMDWSXFTIF-UHFFFAOYSA-N
SMILES	Cc1ccccc1S(N)(=O)=O
LogP	0.6-0.9 at 20-25℃
CAS DataBase Reference	88-19-7(CAS DataBase Reference)
NIST Chemistry Reference	Benzenesulfonamide, 2-methyl-(88-19-7)
EPA Substance Registry System	88-19-7(EPA Substance)

Safety Data

Symbol(GHS)	GHS07,GHS08
Signal word	Warning
Hazard statements	H319-H351
Precautionary statements	P201-P305+P351+P338-P308+P313
Hazard Codes	Xi,Xn
Risk Statements	R36:Irritating to the eyes. R40:Limited evidence of a carcinogenic effect. less more
Safety Statements	S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36/37:Wear suitable protective clothing and gloves . less more
WGK Germany	1
RTECS	XT5075000
TSCA	Yes
REACH Registrations	Active
HS Code	29350090
Storage Class	11 - Combustible Solids
Hazard Classifications	Carc. 2 Eye Irrit. 2
Safety Profile	Suspected carcinogen with experimental tumorigenic data. Mildly toxic by ingestion. Experimental reproductive effects. Mutation data reported. An eye irritant. When heated to decomposition it emits very toxic fumes of NOx and SOx. Used as a chemical intermediate in the production of saccharin. less more
Hazardous Substances Data	88-19-7(Hazardous Substances Data)

Raw materials And Preparation Products

Hazard Information

Chemical Properties

2-Methylbenzene-1-sulfonamide is Colorless crystals. Soluble in alcohol; slightly soluble in water and ether. Combustible.

Uses

2-Methylbenzene-1-sulfonamide is a methylated sulfonamide and a major Impurity if Saccharin (S080800). Studies suggest that o-Toluenesulfonamide has potential mutagenic activity.

Uses

Plasticizer of thermosetting resin, as a raw material used in organic synthesis, preparation of nail polish, dyes, fluorescent pigments and coatings.

General Description

Pharmaceutical secondary standards for application in quality control provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards. o-Toluenesulfonamide is a major impurity in artificial sweetening substances containing saccharin.

Toxicity evaluation

Acute toxicity of o-toluenesulfonamide in rats: The oral LD50 value in rats was greater than 2,000 mg/kg b.w. for males and between 1,000 and 2,000 mg/kg b.w. for females. In an oral repeated dose study in rats, the major effects of this chemical were clinical signs such as decreased locomotor activity and prone position, and histopathological change in liver. The NOAEL is considered to be 20 mg/kg b.w./day for both sexes.

Purification Methods

Crystallise the amide from hot H2O (m 153o), then from EtOH or Et2O/pet ether. The N-o-toluenesulfonylphthalimide has m 182o (from EtOH). [Evans & Dehn J Am Chem Soc 51 3652 1929, Beilstein 11 H 86, 11 I 23, 11 II 39, 11 III 167, 11 IV 229.]

Material Safety Data Sheet(MSDS)

Spectrum Detail

Well-known Reagent Company Product Information

Supplier

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