ChemicalBook CAS DataBase List 96-50-4

96-50-4

Name	2-Aminothiazole
CAS	96-50-4
EINECS(EC#)	202-511-6
Molecular Formula	C3H4N2S
MDL Number	MFCD00005325
Molecular Weight	100.14
MOL File	96-50-4.mol

Chemical Properties

Appearance	brown crystalline powder, grains, lumps or flakes
Melting point	91-93 °C (lit.)
Boiling point	117 °C (15.002 mmHg)
bulk density	600kg/m3
density	1.241 (estimate)
vapor pressure	<1 hPa (20 °C)
refractive index	1.5300 (estimate)
Fp	117°C/15mm
storage temp.	Hormones
solubility	1 M HCl: soluble50mg/mL, clear (dark yellow-brown)
form	Crystalline Powder, Grains, Lumps or Flakes
pka	5.36(at 20℃)
color	Brown
PH	9.6 (100g/l, H2O, 20℃)
Water Solubility	100 g/L (20 ºC)
Detection Methods	GC,NMR
Merck	14,479
BRN	105738
InChI	1S/C3H4N2S/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)
InChIKey	RAIPHJJURHTUIC-UHFFFAOYSA-N
SMILES	[s]1[c]([nH]cc1)=N
LogP	0.380
CAS DataBase Reference	96-50-4(CAS DataBase Reference)
NIST Chemistry Reference	2-Aminothiazole(96-50-4)
Storage Precautions	Store under nitrogen;Light sensitive
EPA Substance Registry System	96-50-4(EPA Substance)

Safety Data

Hazard Codes	Xn,Xi
Risk Statements	R22:Harmful if swallowed. R36:Irritating to the eyes. R36/37:Irritating to eyes and respiratory system . R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . less more
Safety Statements	S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36/37:Wear suitable protective clothing and gloves . S39:Wear eye/face protection . S36:Wear suitable protective clothing . less more
WGK Germany	3
RTECS	XJ2100000
F	8-9
Autoignition Temperature	600 °C
Hazard Note	Irritant
TSCA	Yes
HS Code	29341000
Storage Class	11 - Combustible Solids
Hazard Classifications	Acute Tox. 4 Oral
Toxicity	LD50 orally in Rabbit: 480 mg/kg less more

Raw materials And Preparation Products

Hazard Information

General Description

Light brown crystals or brown granular solid.

Reactivity Profile

2-AMINOTHIAZOLE(96-50-4) reacts violently when nitrated with nitric or nitric-sulfuric acids. 2-AMINOTHIAZOLE(96-50-4) is also incompatible with strong oxidizing agents, strong acids, acid chlorides and acid anhydrides.

Air & Water Reactions

Insoluble in water.

Fire Hazard

Flash point data for this chemical are not available; however, 2-AMINOTHIAZOLE is probably combustible.

Chemical Properties

brown crystalline powder, grains, lumps or flakes

Uses

2-Aminothiazole is a heterocyclic amine and is the beginning reagent for the synthesis of many pharmaceutical and agricultural related compounds.

Uses

antithyroid agent

Uses

Usually used in the synthesis of 2-aminothiazole-modified silica gel，and aslo used in Ulmann coupling with 2-chlorobenzoic acids mediated by ultrasonic irradiation.

Definition

ChEBI: A primary amino compound that is 1,3-thiazole substituted by an amino group at position 2.

Synthesis Reference(s)

Journal of the American Chemical Society, 76, p. 693, 1954 DOI: 10.1021/ja01632a016

Biochem/physiol Actions

2-Aminothiazoles are potent cyclin-dependent kinase 5 inhibitors and are therapeutic agents for the treatment of Alzheimer′s disease and other neurodegenerative disorders.

Safety Profile

Poison by ingestion andintraperitoneal routes. Mutation data reported.Spontaneous ignition occurs at 100°. Mixtures with nitricacid or nitric acid + sulfuric acid explode on heating.Incompatible with HNO3 and H2SO4. When heated todecomposition it emi

Purification Methods

It crystallises from pet ether (b 100-120o), or EtOH. [Beilstein 27 III/IV 4574.]

Material Safety Data Sheet(MSDS)

Spectrum Detail

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