ChemicalBook > CAS DataBase List > 4-Nitrotoluene-2-sulfonic Acid

4-Nitrotoluene-2-sulfonic Acid

Product Name
4-Nitrotoluene-2-sulfonic Acid
CAS No.
121-03-9
Chemical Name
4-Nitrotoluene-2-sulfonic Acid
Synonyms
PNTOS;PNOTSA;4-Nitrotoluol-2-acid;LABOTEST-BB LT00052933;4-Nitro-2-sulfotoluene;5-nitro-o-toluenesulfonicac;5-nitro-o-toluenesulfonicaci;Toluenesulfonic acid, 5-nitr;4-Nitrotoluenesulfonic Acid;P-NITROTOLUENE SULFONIC ACID
CBNumber
CB5153277
Molecular Formula
C7H7NO5S
Formula Weight
217.2
MOL File
121-03-9.mol
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4-Nitrotoluene-2-sulfonic Acid Property

Melting point:
135°C
Boiling point:
500°C (rough estimate)
Density 
1.6040 (rough estimate)
vapor pressure 
0Pa at 20℃
refractive index 
1.6100 (estimate)
storage temp. 
Sealed in dry,Room Temperature
solubility 
Methanol (Slightly), Water (Slightly)
pka
-1.14±0.33(Predicted)
form 
Solid
color 
Very Dark Brown
Water Solubility 
667g/L at 23℃
InChI
InChI=1S/C7H7NO5S/c1-5-2-3-6(8(9)10)4-7(5)14(11,12)13/h2-4H,1H3,(H,11,12,13)
InChIKey
ZDTXQHVBLWYPHS-UHFFFAOYSA-N
SMILES
C1(S(O)(=O)=O)=CC([N+]([O-])=O)=CC=C1C
CAS DataBase Reference
121-03-9(CAS DataBase Reference)
EPA Substance Registry System
Benzenesulfonic acid, 2-methyl-5-nitro- (121-03-9)
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Safety

Hazard Codes 
Xn
Risk Statements 
34-41-43-36-22
Safety Statements 
26-36/37/39-39-36/37
RIDADR 
3261
RTECS 
DB7175000
HS Code 
2904.99.4700
HazardClass 
8
PackingGroup 
III
Hazardous Substances Data
121-03-9(Hazardous Substances Data)
Toxicity
rat,LD50,oral,3710mg/kg (3710mg/kg),"Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1055, 1986.
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Danger
Hazard statements

H290May be corrosive to metals

H314Causes severe skin burns and eye damage

H412Harmful to aquatic life with long lasting effects

Precautionary statements

P234Keep only in original container.

P260Do not breathe dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P273Avoid release to the environment.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P330+P331IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

P363Wash contaminated clothing before reuse.

P390Absorb spillage to prevent material damage.

P405Store locked up.

P406Store in corrosive resistant/… container with a resistant inner liner.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

TCI Chemical
Product number
N0277
Product name
4-Nitrotoluene-2-sulfonic Acid Hydrate
Purity
>95.0%(T)
Packaging
25g
Price
$59
Updated
2024/03/01
TCI Chemical
Product number
N0277
Product name
4-Nitrotoluene-2-sulfonic Acid Hydrate
Purity
>95.0%(T)
Packaging
500g
Price
$323
Updated
2024/03/01
TRC
Product number
N572320
Product name
5-Nitro-o-toluenesulfonicAcid
Packaging
10g
Price
$180
Updated
2021/12/16
TRC
Product number
N572320
Product name
5-Nitro-o-toluenesulfonicAcid
Packaging
100g
Price
$275
Updated
2021/12/16
Medical Isotopes, Inc.
Product number
60760
Product name
5-Nitro-o-toluenesulfonicAcid
Packaging
10g
Price
$675
Updated
2021/12/16
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4-Nitrotoluene-2-sulfonic Acid Chemical Properties,Usage,Production

Uses

5-Nitro-o-toluenesulfonic Acid is a precursor to 4,4''-dinitrostilbene-2,2''-disulfonic acid in fluorescent whitener.

Production Methods

4-Nitrotoluene is sulfonated with 25 % oleum at 60 ℃ and worked up to give a solution of the sodium salt of 2-Methyl-5-nitrobenzenesulfonic acid.

Application

4-Nitrotoluene-2-sulfonic acid is an essential intermediate for producing fluorescent whitening agents, thousands of tons of which are manufactured annually. It is used principally as starting material for the production of 4,4'-dinitrostilbene-2,2'-disulfonic acid, which in turn is used for the manufacture of a host of fluorescent whitening agents based on cyanuric chloride of the 4,4'-bis([1,3,5-triazin-2-yl]amino)-stilbene-2,2'-disulfonic acid type. Further substantial amounts of 4-nitrotoluene-2-sulfonic acid are required to synthesize fluorescent whitening agents with other basic structures and of various dyes.

Definition

ChEBI: The arenesulfonic acid that is toluene-2-sulfonic acid bearing a nitro substituent at C-4.

Flammability and Explosibility

Non flammable

4-Nitrotoluene-2-sulfonic Acid Preparation Products And Raw materials

Raw materials

Glass-lined reaction pot 4-Nitrotoluene

Preparation Products

STILBENE YELLOW
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4-Nitrotoluene-2-sulfonic Acid Suppliers

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View Lastest Price from 4-Nitrotoluene-2-sulfonic Acid manufacturers

Hebei Zhuanglai Chemical Trading Co.,Ltd
Product
PNOTSA 121-03-9
Price
US $180.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
20ton
Release date
2024-06-06
Shanghai Xin Cheng Yue Chemical Co.,Ltd
Product
4-nitrotoluene-2-sulphonic acid 121-03-9
Price
US $0.00-0.00/kg
Min. Order
1000kg
Purity
78%
Supply Ability
10000ton
Release date
2024-01-25
Hebei Weibang Biotechnology Co., Ltd
Product
2-Methyl-5-nitrobenzenesulfonic acid 121-03-9
Price
US $1.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
10 mt
Release date
2024-11-22

121-03-9, 4-Nitrotoluene-2-sulfonic AcidRelated Search:

p-Toluenesulfonic acid 2-Nitrotoluene Sodium xylenesulfonate Methyl p-toluenesulfonate 4-Chloro-2-nitrotoluene Tribenuron methyl Sodium 3-nitrobenzenesulphonate METSULFURON METHYL 2-Chloro-6-nitrotoluene Ethyl p-toluenesulfonate Methyl acetate Kresoxim-methyl 4-Nitrotoluene Sodium p-toluenesulfonate Methyl salicylate Pirimiphos-methyl Thiophanate-methyl Methyl

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  • C7H7NO5S2H2O
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  • C7H11NO7S
  • C7H7NO5SH2O
  • Intermediates of Dyes and Pigments