2-Amino-6-chlortoluol-4-sulfonsure

Benzenesulfonic acid, 3-amino-5-chloro-4-methyl-

HCID 80806CAS 6387-27-5

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Grundinformationen

Standard-SMILES: Cc1c(N)cc(S(=O)(=O)O)cc1Cl
InChIKey: RSCRGMCYBCTJGF-UHFFFAOYSA-N
Summenformel: C7H8ClNO3S
Durchschnittliche Molmasse: 221,66 g/mol
Monoisotopische Masse: 220,991342

Namen und Bezeichner

Bevorzugter Name: Benzenesulfonic acid, 3-amino-5-chloro-4-methyl-
IUPAC: 3-amino-5-chloro-4-methylbenzenesulfonic acid
Lokaler Name: 2-Amino-6-chlortoluol-4-sulfonsure
Englischer Name: 2-amino-6-chlorotoluene-4-sulphonic acid
Summenformel: C7H8ClNO3S
Molmasse: 221.66

Namen und Synonyme

3-amino-5-chloro-4-methylbenzenesulfonic acid6387-27-5Benzenesulfonic acid, 3-amino-5-chloro-4-methyl-EINECS 228-993-8C9Q2C8P92XDTXSID3064304RefChem:117908DTXCID0044151228-993-82-Amino-6-chlorotoluene-4-sulphonic acid2-Amino-6-chlorotoluene-4-sulfonic acidACTS

Weitere Namen anzeigen

3-Chloro-o-toluidine-5-sulfonic acid (NH2=1)

UNII-C9Q2C8P92X3-Amino-5-chloro-4-methylbenzene-1-sulfonic acidSCHEMBL176914MFCD00043919SY319809NS00035601G88743F555399

Datenbank-Bezeichner

CAS: 6387-27-5
PubChem CID: 80806
DTXSID: DTXSID3064304
UNII: C9Q2C8P92X
EC Number: 228-993-8
Nikkaji: J166.398D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 88,8 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 274

Physikochemische Eigenschaften

Dichte: 1.553 · 1.553±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, sealed storage, away from moisture and light
pka: -1.36 · -1.36±0.50(Predicted)
EPA chemische Informationen: 3 · Benzenesulfonic acid, 3-amino-5-chloro-4-methyl- (6387-27-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

Sicherheitsdaten

tsca: TSCA listed

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzenesulfonic acid, 3-amino-5-chloro-4-methyl-: INACTIVE

Anwendungen · 1 Eintrag

Beschreibung2-amino-6-chlorotoluene-4-sulphonic acid is a moist, slightly reddish paste in raw form. It is manufactured by sulfonation of 1- chloro-2- methyl-3-nitrobenzene with oleum, followed by Béchamp reduction. The compound is used as a diazo component for azo dyes in the dyeing of leather.