Grundinformationen
- Standard-SMILES
COc1ccc(N)c(S(=O)(=O)O)c1- InChIKey
KZKGEEGADAWJFS-UHFFFAOYSA-N- Summenformel
- C7H9NO4S
- Durchschnittliche Molmasse
- 203,22 g/mol
- Monoisotopische Masse
- 203,02522877
Namen und Bezeichner
- Bevorzugter Name
- 2-Amino-5-methoxybenzenesulfonic acid
- IUPAC
- 2-amino-5-methoxybenzenesulfonic acid
- Lokaler Name
- 2-Amino-5-methoxybenzolsulfonsure
- Englischer Name
- p-Anisidine-3-sulfonic acid
- Summenformel
- C7H9NO4S
- Molmasse
- 203.22
Namen und Synonyme
2-Amino-5-methoxybenzenesulfonic acid13244-33-2Benzenesulfonic acid, 2-amino-5-methoxy-4-Aminoanisole-3-sulfonic acid4-Methoxy-2-sulfoanilineEINECS 236-224-2UNII-HJU535J9322-Amino-5-methoxy benzenesulfonic acidBRN 3284409Kyselina 4-aminoanisol-3-sulfonova [Czech]HJU535J932Kyselina 4-aminoanisol-3-sulfonova
Weitere Namen anzeigen
4-ANDROSTENEDIONEp-Anisidine-3-Sulfonicp-Anisidine-3-sulfonicaciP-ANISIDINE-3-SULFONIC ACIDP-ANISIDINE-M-SULFONIC ACID4-Anisidine-3-sulfonic acid4-MeO-Aniline-2-sulfonic acidP-ANISIDINE 3 DISULFONIC ACID
DTXSID20653810-14-00-00813 (Beilstein Handbook Reference)RefChem:85278DTXCID2034095236-224-24-anisidine-2-sulfonicacid2-amino-5-methoxybenzene-1-sulfonic acidMFCD00035804
Datenbank-Bezeichner
- CAS
13244-33-2- PubChem CID
- 83260
- DTXSID
DTXSID2065381- UNII
- HJU535J932
- EC Number
- 236-224-2
- Nikkaji
- J54.501E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,5
- Polarare Oberfläche (TPSA)
- 98 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 258
Physikochemische Eigenschaften
- Schmelzpunkt
- 314 · 314-318 C
- Dichte
- 1.454 · 1.4540 (rough estimate)
- Brechungsindex
- 1.637 · 1.6370 (estimate)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Aggregatzustand
- powder to crystal
- pka
- -1.37 · -1.37±0.42(Predicted)
- Farbe
- White to Gray to Brown
- InChI
- InChI=1S/C7H9NO4S/c1-12-5-2-3-6(8)7(4-5)13(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)
- InChIKey
- KZKGEEGADAWJFS-UHFFFAOYSA-N
- SMILES
- C1(S(O)(=O)=O)=CC(OC)=CC=C1N
- CAS Datenbank
- 13244 · 13244-33-2(CAS DataBase Reference)
- EPA chemische Informationen
- 2 · Benzenesulfonic acid, 2-amino-5-methoxy- (13244-33-2)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Danger
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Sicherheitsdaten
- tsca
- TSCA listed
- hs_code
- 29221985
- RTECS-Nr.
- DB4950000
- risk_code
- 36/37/38-20/21/22-43
- Toxizität
- rat,LD50,oral,10gm/kg (10000mg/kg),"Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1055, 1986.
- hazard_code
- Xi,Xn
- safety_code
- 37/39-26-36-36/37
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationBenzenesulfonic acid, 2-amino-5-methoxy-: ACTIVE
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