4-nitrotoluene-2-sulfonic acid

Names

[ CAS No. ]:
121-03-9

[ Name ]:
4-nitrotoluene-2-sulfonic acid

[Synonym ]:
4-nitrotoluene-2-sulfonic acid
4-nitrotoluene-2-sulphonic acid
4-Nitrotoluenesulfonic Acid
5-nitro-o-toluenesulfonicac
2-methyl-5-nitrobenzenesulfonato
MFCD00024914
2-Methyl-5-nitrobenzenesulfonic acid
5-nitro-o-toluenesulfonic acid
P-NITROTOLUENE SULFONIC ACID
4-Nitro-o-toluenesulfonicacid
para-nitrotoluene-ortho-sulfonic acid
Benzenesulfonic acid, 2-methyl-5-nitro-
4-Nitrotoluene-2-sulfonic acid dihydrate
4-Nitro-toluol-2-sulfonsaeure
Toluenesulfonic acid,5-nitr
4-Nitro-2-sulfotoluene
PNTOS
5-nitro-o-toluenesulfonicaci
4-Nitrotoluene-2-sulfonic Acid Hydrate
EINECS 204-445-3
4-Nitrotoluol-2-acid
2-Methyl-5-nitro-benzenesulfonic Acid

Chemical & Physical Properties

[ Density]:
1.5±0.1 g/cm3

[ Boiling Point ]:
500ºC

[ Melting Point ]:
135°C

[ Molecular Formula ]:
C₇H₇NO₅S

[ Molecular Weight ]:
217.199

[ Exact Mass ]:
217.004486

[ PSA ]:
108.57000

[ LogP ]:
1.15

[ Index of Refraction ]:
1.596

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DB7175000

CHEMICAL NAME :: Benzenesulfonic acid, 2-methyl-5-nitro-

CAS REGISTRY NUMBER :: 121-03-9

BEILSTEIN REFERENCE NO. :: 2216176

LAST UPDATED :: 199701

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C7-H7-N-O5-S

MOLECULAR WEIGHT :: 217.21

WISWESSER LINE NOTATION :: WSQR B1 ENW

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,1055,1986

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,1055,1986 ** ACUTE TOXICITY DATA **

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 3710 mg/kg

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

REFERENCE :: 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,1055,1986

Safety Information

[ Hazard Codes ]:
C

[ Risk Phrases ]:
R34

[ Safety Phrases ]:
S26-S36/37/39

[ RIDADR ]:
3261

[ RTECS ]:
DB7175000

[ HS Code ]:
2904909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2904909090

[ Summary ]:
HS:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%