ChemicalBook--->CAS DataBase List--->88-19-7

88-19-7

88-19-7 Structure

88-19-7 Structure
IdentificationMore
[Name]

2-Methylbenzene-1-sulfonamide
[CAS]

88-19-7
[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
[EINECS(EC#)]

200-741-1
[Molecular Formula]

C7H9NO2S
[MDL Number]

MFCD00011692
[Molecular Weight]

171.22
[MOL File]

88-19-7.mol
Chemical PropertiesBack Directory
[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 DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Health Hazard (GHS08)
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.
[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 .
[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.
[Hazardous Substances Data]

88-19-7(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Toluene-->Ammonium hydroxide-->Chlorosulfonic acid-->O-TOLUENESULFONYL CHLORIDE-->o-Methylphenyltrimethyltin(IV)-->2-Toluenesulfonyl isocyanate-->2-methylbenzenesulfinic acid-->TRIBUTYL(2-METHYLPHENYL)STANNANE-->Benzenediazonium, 2-methyl-, tetrafluoroborate(1-)-->O-TOLYLMAGNESIUM BROMIDE-->2-Methylbenzenethiol
[Preparation Products]

Chlorsulfuron-->Saccharin sodium-->2-CARBOXY PHENYLSULFAMIDE-->2-TOLUENESULFONIC ACID-->N-Methyl-o-toluenesulfonamide
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Methylbenzene-1-sulfonamide(88-19-7).msds
Hazard InformationBack Directory
[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.]
Spectrum DetailBack Directory
[Spectrum Detail]

2-Methylbenzene-1-sulfonamide(88-19-7)MS
2-Methylbenzene-1-sulfonamide(88-19-7)1HNMR
2-Methylbenzene-1-sulfonamide(88-19-7)13CNMR
2-Methylbenzene-1-sulfonamide(88-19-7)IR1
2-Methylbenzene-1-sulfonamide(88-19-7)IR2
2-Methylbenzene-1-sulfonamide(88-19-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Methylbenzene-1-sulfonamide, 97%(88-19-7)
[Alfa Aesar]

o-Toluenesulfonamide, 99%(88-19-7)
[Sigma Aldrich]

88-19-7(sigmaaldrich)
[TCI AMERICA]

o-Toluenesulfonamide,>98.0%(T)(88-19-7)
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