2-Amino-5-methylbenzenesulfonic acid (HCID 6934)

Namen und Bezeichner

Bevorzugter Name: 2-Amino-5-methylbenzenesulfonic acid
IUPAC: 2-amino-5-methylbenzenesulfonic acid
Lokaler Name: 4-Aminotoluol-3-sulfonsure
Englischer Name: 4-Aminotoluene-3-sulfonic acid
Summenformel: C7H9NO3S
Molmasse: 187.22

Namen und Synonyme

88-44-82-Amino-5-methylbenzenesulfonic acid4-Aminotoluene-3-sulfonic acidPtmsptmsaP-TOLUIDINE-M-SULFONIC ACIDPTMSABenzenesulfonic acid, 2-amino-5-methyl-p-Toluidine-2-sulfonic Acid6-Amino-m-toluenesulfonic acidRed 4B acidm-Toluenesulfonic acid, 6-amino-4-Aminotoluene-3-sulphonic acid

Weitere Namen anzeigen

PTMS4B ACIDred4bacidCID1212310004B Acid, Puretoluidine-sulfonicacid5-Methylorthanilic acidM-TOLUENE SULPHONIC ACID

4-Methylaniline-2-sulfonic acidKyselina 4-toluidin-3-sulfonovaNSC 75446-Amino-m-toluenesulfonic acid (SO3H=1)CCRIS 2772DTXSID7026526EINECS 201-831-36-Amino-meta-toluenesulfonic acid (SO3H=1)

Datenbank-Bezeichner

CAS: 88-44-8
PubChem CID: 6934
DTXSID: DTXSID7026526
ChEMBL: CHEMBL2143677
UNII: FF86IBK68Z
EC Number: 201-831-3
Nikkaji: J9.671G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,9
Polarare Oberfläche (TPSA): 88,8 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 244

Experimentelle und physikochemische Eigenschaften

Physical DescriptionCBI; Dry Powder

Collision Cross Section137.9 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID7026526]

Physikochemische Eigenschaften

Schmelzpunkt: 300 °C · 300 °C
Siedepunkt: 500 °C · 500°C (rough estimate)
Dichte: 1.431 · 1.431
Brechungsindex: 1.61 · 1.6100 (estimate)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: 6 g/L · water: soluble6g/L at 20°C
pka: -1.35 · -1.35±0.42(Predicted)
Aggregatzustand: powder to crystal
Farbe: White to Light red to Green
Wasserlöslichkeit: 32 g/L · 32g/L(19 ºC)
BRN: 2211509 · 2211509
InChI: 1S/C7H9NO3S/c1-5-2-3-6(8)7(4-5)12(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)
InChIKey: LTPSRQRIPCVMKQ-UHFFFAOYSA-N
SMILES: Cc1ccc(N)c(c1)S(O)(=O)=O
LogP: -0.67 at · -0.67 at 25℃
CAS Datenbank: 88 · 88-44-8(CAS DataBase Reference)
EPA chemische Informationen: 4 · 4-Aminotoluene-3-sulfonic acid (88-44-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 67.1% (110 of 164) of all reports.

Danger

H314 (26.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 164 reports by companies from 6 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Benzenesulfonic acid, 2-amino-5-methyl-

Benzenesulfonic acid, 2-amino-5-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenesulfonic acid, 2-amino-5-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 14-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/13513

Hazard Classes and CategoriesSkin Corr. 1B (26.2%)

Sicherheitsdaten

wgk: 2
tsca: TSCA listed
ridadr: UN 2585 8/PG 3
hs_code: 29214300
RTECS-Nr.: XT6320000
risk_code: 45-34-36
hazard_code: T,C,Xi
safety_code: 53-26-27-28-36/37/39-45-28A
hazard_class: 8
packing_group: III
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: 1,000,000 - <2,500,000 lb

Consumer UsesPigment

Industry UsesPigment

General Manufacturing Information · 2 Einträge

Synthetic Dye and Pigment Manufacturing

Benzenesulfonic acid, 2-amino-5-methyl-: ACTIVE

Anwendungen · 2 Einträge

Beschreibung4-Aminotoluene-3-sulfonic acid is produced by baking p-toluidine sulfate at 180 ℃ and 97 – 101 mbar, dissolving the product in 3 % sodium hydroxide solution, and precipitating the free acid by adding concentrated hydrochloric acid.

Verwenden4-Aminotoluene-3-sulfonic acid was used to investigate the enrichment of aminobenzoic acids and aminotoluenesulfonic acids using graphitized carbon black (GCB) by solid-phase extraction. It was also used in the synthesis of azobenzene derivatives.