CAS 570-23-0 3-Aminosalicylic acid (HCID 68443)

Namen und Bezeichner

Bevorzugter Name: 3-Aminosalicylic acid
IUPAC: 3-amino-2-hydroxybenzoic acid
Lokaler Name: 3-Aminosalicylsure
Englischer Name: 3-Aminosalicylic acid
Summenformel: C7H7NO3
Molmasse: 153.14

Namen und Synonyme

3-Aminosalicylic acid3-Amino-2-hydroxybenzoic acidSalicylic acid, 3-amino-WN7T1GM9RMEINECS 209-328-0UNII-WN7T1GM9RMNSC 285111NSC-285111MESALAZINE IMPURITY F [EP IMPURITY]DTXSID908622153-AMINOSALICYLIC ACID [USP IMPURITY]MESALAZINE IMPURITY F (EP IMPURITY)

Weitere Namen anzeigen

TIMTEC-BB SBB001895Mesalazine Impurity FMesalaMine IMpurity FMesalazine Impurity 6Mesalazine EP IMpurity FMesalamine EP Impurity F3-AMINOSALICYLIC ACID 98%

3-AMINOSALICYLIC ACID (USP IMPURITY)RefChem:93008DTXCID00811012Salicylic acid, 3-amino-(8CI)209-328-0InChI=1/C7H7NO3/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,9H,8H2,(H,10,11IQGMRVWUTCYCST-UHFFFAOYSA-N570-23-0

Datenbank-Bezeichner

CAS: 570-23-0
PubChem CID: 68443
DTXSID: DTXSID90862215
ChEMBL: CHEMBL1650630
ChEBI: CHEBI:89327
UNII: WN7T1GM9RM
EC Number: 209-328-0
Nikkaji: J26.980H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,9
Polarare Oberfläche (TPSA): 83,6 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 160

Experimentelle und physikochemische Eigenschaften

Physical DescriptionSolid

Collision Cross Section122.07 Å² [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

Physikochemische Eigenschaften

Schmelzpunkt: 240 °C · 240 °C (dec.) (lit.)
Siedepunkt: 276.03 °C · 276.03°C (rough estimate)
Dichte: 1.3585 · 1.3585 (rough estimate)
Brechungsindex: 1.55 · 1.5500 (estimate)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: DMSO (Slightly), Methanol (Slightly, Heated)
Aggregatzustand: Powder
pka: 2.13 · 2.13±0.10(Predicted)
Farbe: tan to brown
Wasserlöslichkeit: Slightly soluble in water
BRN: 2090427 · 2090427
Stabilität: Hygroscopic
Major Application: peptide synthesis
InChI: 1S/C7H7NO3/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,9H,8H2,(H,10,11)
InChIKey: IQGMRVWUTCYCST-UHFFFAOYSA-N
SMILES: Nc1cccc(C(O)=O)c1O
CAS Datenbank: 570 · 570-23-0(CAS DataBase Reference)
NIST chemische Informationen: 3 · 3-Aminosalicylic acid(570-23-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (95.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (97.9%)；Eye Irrit. 2 (97.9%)；STOT SE 3 (95.8%)

Sicherheitsdaten

F: 10
wgk: 3
hs_code: 29225090
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36-37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden3-Aminosalicylic acid acts as an oxygen, nitrogen donor ligand and forms complexes with silver.

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

Benzoesure, 2-[[1-Amino-7-[[4-[[6-amino-5-[(3-carboxy-4-hydroxyphenyl)azo]-1-hydroxy-3-sulfo-2-naphthalinyl]azo]-2-methoxyphenyl]azo]-8-hydroxy-3,6-disulfo-2-naphthalinyl]azo]-5-[[6-amino-5-[(3-carboxy-4-hydroxyphenyl)azo]-1-hydroxy-3-sulfo-2-naphthalinyl]azo]-Benzoic acid, 2-hydroxy-3(or 5)-[[4-[(1-hydroxy-5-sulfo-2-naphthalenyl)azo]-1-naphthalenyl]azo]-, disodium salt SOLOCHROME BLACK F C.I. Mordant Black 50 C.I. Direct Orange 104 Benzoic acid, 3-[[4-[(1,8-dihydroxy-4-sulfo-2-naphthalenyl)azo]-1-naphthalenyl]azo]-2(or 6)-hydroxy-, disodium salt DIRECT BLACK 51 2-Methylbenzo[d]oxazole-7-carboxylic acid (2-Methylbenzoxazol-7-yl)methanol

Anbieter100 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Zugehörige Reaktionen

25

Reaktionsaufzeichnung erstellen

HRID 196991als EduktTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 323067als Eduktuspto-grants-2001_04

HRID 415138als Eduktuspto-grants-2012_01

HRID 415139als Eduktuspto-grants-2012_01

HRID 415140als Eduktuspto-grants-2012_01

HRID 441297als Eduktuspto-grants-1977_08

HRID 445874als Eduktuspto-grants-2013_07

HRID 506247als Eduktuspto-grants-2010_08

Notizen zur Verbindung

Wird geladen…

Grundinformationen