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

개요

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

이름 및 식별자

우선 이름: (2-Amino-1,3-thiazol-4-yl)acetic acid
IUPAC: 2-(2-amino-1,3-thiazol-4-yl)acetic acid
현지명: 2-아미노-4-티아졸아세트 산
영어명: 2-Aminothiazole-4-acetic acid
분자식: C5H6N2O2S
분자량: 158.18

이름 및 동의어

(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

이름 더 보기

2-아미노-4-티아졸아세트산2-아미노-4-티아졸아세트산(2-AMINO-4-THIAZOLEACETICACID)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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 0.1
극성 표면적: 104 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 142

실험 및 물리화학적 성질

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)

물리화학적 성질

녹는점: 130 °C · 130 °C (dec.)(lit.)
끓는 점: 399 · 399.0±17.0 °C(Predicted)
밀도: 1.367 · 1.367 (estimate)
증기압: 1.03 · 1.03-1.15hPa at 20℃
굴절률: 1.643 · 1.6430 (estimate)
저장 조건: -20 °C · -20°C
용해도: DMSO (약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 3.2 · 3.20±0.10(Predicted)
색상: 하얀색
수용성: 6.5 g/L · 6.5g/L(20℃)
BRN: 127415 · 127415
안정성: 솔루션이 불안정함
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
EPA: 2 · 2-Amino-4-thiazoleacetic acid (29676-71-9)

화학적 성질

Almost white to light beige crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

Regulatory Information · 2건

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.

안전 및 보호

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

First Aid · 1건

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 · 1건

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) · 1건

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)

안전 데이터

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

화학 및 산업

응용 분야 · 2건

용도2-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)

일반 설명Light orange powder.