4-Toluenesulfonamide

Names

[ CAS No. ]:
70-55-3

[ Name ]:
4-Toluenesulfonamide

[Synonym ]:
4-Methylbenzenesulfonamide
4-Toluenesulfonamide
p-Toluenesulfonamide
MFCD00011692
Benzenesulfonamide, 4-methyl-
ZSWR D1
EINECS 200-741-1
p-Tosylamide

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
322.2±35.0 °C at 760 mmHg

[ Melting Point ]:
134-137 °C(lit.)

[ Molecular Formula ]:
C₇H₉NO₂S

[ Molecular Weight ]:
171.22

[ Flash Point ]:
148.6±25.9 °C

[ Exact Mass ]:
171.035400

[ PSA ]:
68.54000

[ LogP ]:
0.79

[ Vapour Pressure ]:
0.0±0.7 mmHg at 25°C

[ Index of Refraction ]:
1.564

[ Water Solubility ]:
0.32 g/100 mL (25 º C)

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XT5075000

CHEMICAL NAME :: p-Toluenesulfonamide

CAS REGISTRY NUMBER :: 70-55-3

BEILSTEIN REFERENCE NO. :: 0472689

LAST UPDATED :: 199710

DATA ITEMS CITED :: 10

MOLECULAR FORMULA :: C7-H9-N-O2-S

MOLECULAR WEIGHT :: 171.23

WISWESSER LINE NOTATION :: ZSWR D1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 250 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 2 gm/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - excitement Behavioral - muscle weakness

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Bird - wild bird species

DOSE/DURATION :: 75 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TEST SYSTEM :: Insect - Drosophila melanogaster

DOSE/DURATION :: 2500 umol/plate

REFERENCE :: 45OHAA "Short-Term Test Systems for Detecting Carcinogens, Proceedings of the Symposium, 1978," Norpoth, K.H., and R.G. Garner, eds., Berlin, Springer-Verlag, 1980 Volume(issue)/page/year: -,170,1980 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - A1329 No. of Facilities: 195 (estimated) No. of Industries: 5 No. of Occupations: 29 No. of Employees: 4613 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - A1329 No. of Facilities: 304 (estimated) No. of Industries: 8 No. of Occupations: 16 No. of Employees: 9023 (estimated) No. of Female Employees: 1223 (estimated)

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H319

[ Precautionary Statements ]:
P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xi:Irritant

[ Risk Phrases ]:
R36

[ Safety Phrases ]:
S26

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
1

[ RTECS ]:
XT5075000

[ Packaging Group ]:
III

[ HS Code ]:
2935009090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Tosyl chloride
4-METHYL-BENZENESULFINAMIDE
P-toluenethiol
S-p-nitrophenyl-S-phenyl-N-tosylsulfilimine
tosylazide
Benzenesulfonamide,4-methyl-N-[methyl(4-methylphenyl)-l4-sulfanylidene]-
S, S-Diphenyl-N-p-tosylsulfimide
N-(dibenzyl-$l^3249-66-9-sulfanylidene)-4-methyl-benzenesulfonamide
S-(p-chlorophenyl)-S-phenyl-N-(p-tolylsulfonyl)sulfilimine
(S)-(-)-S-(o-methoxyphenyl)-S-phenyl-N-tosylsulfilimine

DownStream

N-[(4-chlorophenyl)methyl]benzenesulfonamide
4-methyl-N-(2-methylprop-1-enyl)benzenesulfonamide
N,N-bis[(4-cyanophenyl)methyl]-4-methylbenzenesulfonamide
4-methyl-N-(1-phenylpropylidene)benzenesulfonamide
Benzoic acid,4-(aminosulfonyl)-, hydrazide
p-Toluenesulfonyl isocyanate
Peraktivin
N-Sulfinyl-p-toluenesulfonamide
1,4,7,10-TETRA-P-TOSYL-1,4,7,10-TETRAAZACYCLODODECANE
Ethyl [(4-methylphenyl)sulfonyl]carbamate

Customs

[ HS Code ]: 2935009090

[ Summary ]:
2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0%

Articles

Carbonic anhydrase inhibitors. Inhibition studies with anions and sulfonamides of a new cytosolic enzyme from the scleractinian coral Stylophora pistillata.

Bioorg. Med. Chem. Lett. 21 , 710-4, (2011)

The catalytic activity and the inhibition of a new coral carbonic anhydrase (CA, EC 4.2.1.1), from the scleractinian coral Stylophora pistillata, STPCA-2, has been investigated. STPCA-2 has high catal...

Identifying chelators for metalloprotein inhibitors using a fragment-based approach.

J. Med. Chem. 54 , 591-602, (2011)

Fragment-based lead design (FBLD) has been used to identify new metal-binding groups for metalloenzyme inhibitors. When screened at 1 mM, a chelator fragment library (CFL-1.1) of 96 compounds produced...

Cloning, characterization and sulfonamide inhibition studies of an α-carbonic anhydrase from the living fossil sponge Astrosclera willeyana.

Bioorg. Med. Chem. 20 , 1403-10, (2012)

The α-carbonic anhydrase (CA, EC 4.2.1.1) Astrosclerin-3 previously isolated from the living fossil sponge Astrosclera willeyana (Jackson et al., Science 2007, 316, 1893), was cloned, kinetically char...

sodium 4-toluenesulfonamide
N-octyl-4-toluenesulfonamide
N-Ethyl-4-toluenesulfonamide
N-butyl-4-toluenesulfonamide
N-acetyl-4-toluenesulfonamide
2-flouro-4-toluenesulfonamide
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1-(1-ethyl-2,3-dihydro-1H-indol-5-yl)cyclobutane-1-carbonitrile
5-chloro-2-fluoro-3-[(2S)-oxiran-2-yl]pyridine
rac-tert-butyl N-{[(1R,2R,4S)-2-hydroxy-4-(4H-1,2,4-triazol-3-yl)cyclopentyl]methyl}carbamate
2-[(1R)-2-amino-1-hydroxyethyl]-5-(diethylamino)phenol
2-(7-Chloro-1,3-dioxaindan-5-yl)propanoic acid
3-[(5-Bromothiophen-2-yl)oxy]azetidine
2-(5-Bromo-3-methylfuran-2-yl)ethanethioamide
rac-(1R,2S)-2-(3-phenyl-1H-pyrazol-4-yl)cyclopropan-1-amine

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