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

概要

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

名称と識別子

優先名称: (2-Amino-1,3-thiazol-4-yl)acetic acid
IUPAC: 2-(2-amino-1,3-thiazol-4-yl)acetic acid
現地名: (2-アミノ-4-チアゾリル)酢酸
英語名: 2-Aminothiazole-4-acetic acid
分子式: C5H6N2O2S
分子量: 158.18

名称と別名

(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

名称をさらに表示

(2-アミノ-4-チアゾリル)酢酸2-(2-アミノチアゾール-4-イル)酢酸2-アミノチアゾール-4-酢酸2-アミノ-4-チアゾール酢酸2-(2-アミノ-1,3-チアゾール-4-イル)酢酸2-アミノ-4-チアゾル酢酸(2-アミノチアゾール-4-イル)酢酸(2-アミノ-1,3-チアゾール-4-イル)酢酸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

データベース識別子

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

物性

構造計算による物性

XLogP: 0.1
極性表面積: 104 Å²
水素結合供与体数: 2
水素結合受容体数: 5
回転可能結合数: 2
重原子数: 10
形式電荷: 0
複雑度: 142

実験および物理化学的性質

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)

物理化学的性質

融点: 130 °C · 130 °C (dec.)(lit.)
沸点: 399 · 399.0±17.0 °C(Predicted)
比重(密度): 1.367 · 1.367 (estimate)
蒸気圧: 1.03 · 1.03-1.15hPa at 20℃
屈折率: 1.643 · 1.6430 (estimate)
貯蔵温度: -20 °C · -20°C
溶解性: DMSO (わずかに)
外見: 個体
酸解離定数(Pka): 3.2 · 3.20±0.10(Predicted)
色: 白い
水溶解度: 6.5 g/L · 6.5g/L(20℃)
BRN: 127415 · 127415
安定性: 溶液中で不安定
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 データベース: 29676 · 29676-71-9(CAS DataBase Reference)
EPAの化学物質情報: 2 · 2-Amino-4-thiazoleacetic acid (29676-71-9)

化学的性質

化学的特性Almost white to light beige crystalline powder

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Regulatory Information · 2 件

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.

安全と保護具

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

First Aid · 1 件

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 件

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 件

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)

安全データ

wgk: 3
hs_code: 29349990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 2 件

使用2-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)

一般的な説明Light orange powder.