CAS 29676-71-9 (2-Amino-1,3-thiazol-4-yl)acetic acid (HCID 34665)

Überblick

2-amino-4-thiazole acetic acid is a light orange powder. (NTP, 1992)

Namen und Bezeichner

Bevorzugter Name: (2-Amino-1,3-thiazol-4-yl)acetic acid
IUPAC: 2-(2-amino-1,3-thiazol-4-yl)acetic acid
Lokaler Name: 2-Aminothiazol-4-essigsure
Englischer Name: 2-Aminothiazole-4-acetic acid
Summenformel: C5H6N2O2S
Molmasse: 158.18

Namen und Synonyme

(2-Amino-1,3-thiazol-4-yl)acetic acidRefChem:46522529676-71-92-AMINO-4-THIAZOLEACETIC ACID2-(2-Aminothiazol-4-yl)acetic acid2-Aminothiazol-4-acetic acid(2-Aminothiazole-4-yl)acetic acid4-Thiazoleacetic acid, 2-amino-2-(2-amino-1,3-thiazol-4-yl)acetic acid2-Aminothiazole-4-acetic acid(2-Amino-4-thiazolyl)acetic acidMFCD00010068

Weitere Namen anzeigen

2-(2-AMINOTHIAZOL-4-YL) ACETIC ACID2-AMino-4-thiazolacetic acidTIMTEC-BB SBB003994Ceftibuten Impurity 2MiraBegron impurity ICeftibuten Impurity 18

2-amino-4-thiazolylacetic acid2-AMINOTHIAZOL-4-YLACETIC ACIDDTXSID0024509QSH3O4TNJTCHEMBL714602-amino-4-thiazole acetic acid(2-aminothiazol-4-yl)acetic acid(2-amino-thiazol-4-yl)-acetic acid

Datenbank-Bezeichner

CAS: 29676-71-9
PubChem CID: 34665
DTXSID: DTXSID0024509
ChEMBL: CHEMBL71460
UNII: QSH3O4TNJT
EC Number: 249-769-6
Nikkaji: J207.945C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,1
Polarare Oberfläche (TPSA): 104 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 2
Schwere Atome: 10
Formalladung: 0
Komplexität: 142

Experimentelle und physikochemische Eigenschaften

Solubilityless than 1 mg/mL at 70 °F (NTP, 1992)

Melting Point266 °F (Decomposes) (NTP, 1992)

Physical Description2-amino-4-thiazole acetic acid is a light orange powder. (NTP, 1992)

Physikochemische Eigenschaften

Schmelzpunkt: 130 °C · 130 °C (dec.)(lit.)
Siedepunkt: 399 · 399.0±17.0 °C(Predicted)
Dichte: 1.367 · 1.367 (estimate)
Dampfdruck: 1.03 · 1.03-1.15hPa at 20℃
Brechungsindex: 1.643 · 1.6430 (estimate)
storage temp.: -20 °C · -20°C
Löslichkeit: DMSO (Slightly)
Aggregatzustand: solid
pka: 3.2 · 3.20±0.10(Predicted)
Farbe: White
Wasserlöslichkeit: 6.5 g/L · 6.5 g/L (20 ºC)
BRN: 127415 · 127415
Stabilität: Unstable in Solution
InChI: 1S/C5H6N2O2S/c6-5-7-3(2-10-5)1-4(8)9/h2H,1H2,(H2,6,7)(H,8,9)
InChIKey: DYCLHZPOADTVKK-UHFFFAOYSA-N
SMILES: Nc1nc(CC(O)=O)cs1
LogP: -2.13 at · -2.13 at 20℃ and pH4.54-4.64
CAS Datenbank: 29676 · 29676-71-9(CAS DataBase Reference)
EPA chemische Informationen: 2 · 2-Amino-4-thiazoleacetic acid (29676-71-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 3.9% (2 of 51) of reports.

Warning

H315 (96.1%): Causes skin irritation [Warning Skin corrosion/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 51 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: 4-Thiazoleacetic acid, 2-amino-

Status: Active Update: 15-06-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/22991

Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)

Health HazardsSYMPTOMS: Exposure to this compound may cause irritation.

Reactive GroupAcids, Carboxylic

Reactivity ProfileAn organosulfide and amine derivative, carboxylic acid. Look at Reactive Groups 20 (organosulfides), 7 (amines), and 3 (carboxylic acids) may give indications about reactive tendencies.

Air and Water ReactionsInsoluble in water.

Sicherheit und Schutzausrüstung

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)

First Aid · 1 Eintrag

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 Eintrag

SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1 Eintrag

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Sicherheitsdaten

wgk: 3
hs_code: 29349990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-Amino-4-thiazoleacetic acid has been used in:preparation of poly(2-amino-4-thiazoleacetic acid)/multiwalled carbon nanotubes modified glassy carbon electrodes, for the voltammetric determination of copper ionselectrochemical synthesis of novel thiozole-based copolymer with 2-aminothiazolepreparation of aquabis(2-amino-1,3-thiazole-4-acetato-κ2O,N3)nickel (II)