CAS No.96-50-4,2-Aminothiazole Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	96-50-4
Name:	2-Aminothiazole
Article Data:	81

Formula:	C₃H₄N₂S
Molecular Weight:	100.144
Synonyms:	Thiazole, 2-amino-;Aminothiazole;2-Thiazolamine;2-Thiazolylamine;4-Thiazolin-2-onimine;AI3-14917;Abadol;Abadole;Aminothiazol;Aminothiazolum;Basedol;CCRIS 1279;CP 1585;NSC 1900;RP 2921;UNII-5K8WKN668K;USAF EK-P-5501;
EINECS:	202-511-6
Density:	1.346 g/cm³
Melting Point:	91-93 °C(lit.)
Boiling Point:	216.383 °C at 760 mmHg
Flash Point:	84.666 °C
Solubility:	Slightly soluble in cold water, ethanol, soluble in water, dilute inorganic acid
Appearance:	Light brown crystals or brown granular solid.
Hazard Symbols:	Xn,Xi
Risk Codes:	36/37-20/21/22
Safety:	26-36/37-39
Transport Information:	UN 2811
PSA:	67.15000
LogP:	1.30650

Synthetic route

: 58822-97-2
2-azido-1,3-thiazole

: 96-50-4
2-thiazolylamine

Conditions

Conditions	Yield
With iron(III) oxide; hydrazine hydrate In water at 120℃; for 2h; Inert atmosphere;	99%
With D-glucose; potassium hydroxide In water at 85℃; for 0.25h; Green chemistry; chemoselective reaction;	97%

: 75-07-0
acetaldehyde

: 17356-08-0
thiourea

: 96-50-4
2-thiazolylamine

Conditions

Conditions	Yield
Stage #1: acetaldehyde With 1,3-dichloro-5,5-dimethylhydantoin; iron oxide In methanol at 65℃; for 1h; Green chemistry; Stage #2: thiourea In methanol for 1h; Catalytic behavior; Green chemistry;	98%
With montmorillonite K10 Clay; iodine In dimethyl sulfoxide at 80℃; for 2h; Green chemistry;	98%
With iodine In dimethyl sulfoxide at 80℃; for 1h; Green chemistry;	95%

: 3034-53-5
2-bromo-1,3-thiazole

: 96-50-4
2-thiazolylamine

Conditions

Conditions	Yield
With copper(I) oxide; ammonia at 80℃; for 16h;	94%
With copper acetylacetonate; potassium phosphate; ammonia In N,N-dimethyl-formamide at 25℃; for 48h; Glovebox; Autoclave; chemoselective reaction;	82 %Chromat.

: 623-46-1
1,2-dichloro-2-ethoxyethane

: 17356-08-0
thiourea

: 96-50-4
2-thiazolylamine

Conditions

Conditions	Yield
Hantzsch thiazole synthesis;	90%
	90%
With water

: 1606-76-4
2-nitrothiazole

: 96-50-4
2-thiazolylamine

Conditions

Conditions	Yield
With triethylamine In water at 80℃; for 8h; Inert atmosphere; Green chemistry; chemoselective reaction;	90%

: 2719-23-5
2-acetamidothiazole

: 96-50-4
2-thiazolylamine

Conditions

Conditions	Yield
Stage #1: 2-acetamidothiazole With Schwartz's reagent In tetrahydrofuran at 20℃; for 0.05h; Inert atmosphere; Stage #2: With water In tetrahydrofuran Inert atmosphere;	88%

: 107-20-0
2-chloroethanal

: 17356-08-0
thiourea

: 96-50-4
2-thiazolylamine

Conditions

Conditions	Yield
In toluene at 80℃; for 2h; Temperature;	85.9%
In water; toluene at 80℃; for 3h;	78%
In toluene at 80℃; for 2h; Yield given;
In water at 20℃;

: 17356-08-0
thiourea

: 292638-85-8
acrylic acid methyl ester

: 96-50-4
2-thiazolylamine

Conditions

Conditions	Yield
With bromine In water for 0.666667h; Heating;	80%

: 60838-50-8
3-methoxy-2-propenenitrile

: 127-09-3
sodium acetate

: 17356-08-0
thiourea

: 96-50-4
2-thiazolylamine

Conditions

Conditions	Yield
Stage #1: 3-methoxy-2-propenenitrile With sodium hydroxide; bromine In water; acetonitrile at 5 - 10℃; for 1.33333h; Stage #2: thiourea With sodium acetate In water; acetonitrile at 10 - 15℃; for 2.25h; Stage #3: sodium acetate With sodium hydroxide more than 3 stages;	75%

...Expand

: 4124-63-4
mercaptoacetaldehyde

: 2986-19-8
carbamimidothioic acid methyl ester

: 96-50-4
2-thiazolylamine

Conditions

Conditions	Yield
In water at 20℃; for 16h; pH=7;	72%

Raw Materials

7166-44-1

41731-32-2

621-62-5

97-97-2

72-14-0

60838-50-8

2719-23-5

141-46-8

Downstream Products

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Consensus Reports

First Aid Measures:
Ingestion:Never give anything by mouth to an unconscious person. Get medical aid immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:Remove from exposure to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Skin:Get medical aid. Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Eyes:Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.

Storage:Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Hormones and antibiotics room. Refrigerator (approx 4 C).
Handling:Wash thoroughly after handling. Wash hands before eating. Remove contaminated clothing and wash before reuse. Use only in a well ventilated area. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Do not breathe dust, vapor, mist, or gas. Keep container tightly closed. Do not ingest or inhale.

Specification

The 2-Aminothiazole, with the CAS registry number 96-50-4, is also known as 2-Thiazolylamine. It belongs to the product categories of Sulphur Derivatives; Thiazoles. Its EINECS number is 202-511-6. This chemical's molecular formula is C₃H₄N₂S and molecular weight is 100.14. What's more, its systematic name is 1,3-Thiazol-2-amine. Its classification codes are: (1)Drug / Therapeutic Agent; (2)Mutation data. It should be sealed and stored in a cool and ventilated place. Moreover, it should be protected from oxides, heat and fire. This chemical is used as as pharmaceutical intermediates, and it is also used in organic synthesis.

Physical properties of 2-Aminothiazole are: (1)ACD/LogP: 0.001; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.11; (4)ACD/LogD (pH 7.4): 0.00; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 18.70; (8)ACD/KOC (pH 7.4): 23.76; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 67.15 Å²; (13)Index of Refraction: 1.645; (14)Molar Refractivity: 26.965 cm³; (15)Molar Volume: 74.417 cm³; (16)Polarizability: 10.69×10^-24cm³; (17)Surface Tension: 63.92 dyne/cm; (18)Density: 1.346 g/cm³; (19)Flash Point: 84.666 °C; (20)Enthalpy of Vaporization: 45.274 kJ/mol; (21)Boiling Point: 216.383 °C at 760 mmHg; (22)Vapour Pressure: 0.14 mmHg at 25°C.

Preparation of 2-Aminothiazole: this chemical can be prepared by thiourea and 1,2-dichloro-1-ethoxy-ethane. It is a reaction of hantzsch thiazole synthesis. The yield is about 90%.

2-Aminothiazole can be prepared by thiourea and 1,2-dichloro-1-ethoxy-ethane

Uses of 2-Aminothiazole: it can be used to produce N-thiazol-2-yl-succinamic acid by heating. It will need solvent acetone with the reaction time of 6 hours. The yield is about 94%.

2-Aminothiazole can be used to produce N-thiazol-2-yl-succinamic acid by heating

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes and respiratory system. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: c1csc(n1)N
(2)Std. InChI: InChI=1S/C3H4N2S/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)
(3)Std. InChIKey: RAIPHJJURHTUIC-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
cat	LDLo	oral	120mg/kg (120mg/kg)	BEHAVIORAL: TREMOR BEHAVIORAL: COMA LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Journal of Industrial Hygiene and Toxicology. Vol. 30, Pg. 71, 1948.
guinea pig	LDLo	oral	120mg/kg (120mg/kg)	BEHAVIORAL: TREMOR LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: COMA	Journal of Industrial Hygiene and Toxicology. Vol. 30, Pg. 71, 1948.
mouse	LD50	intraperitoneal	200mg/kg (200mg/kg)		National Technical Information Service. Vol. AD277-689,
rabbit	LD50	oral	370mg/kg (370mg/kg)	BEHAVIORAL: TREMOR BEHAVIORAL: COMA LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Journal of Industrial Hygiene and Toxicology. Vol. 30, Pg. 71, 1948.
rat	LD50	intravenous	570mg/kg (570mg/kg)		Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 211, Pg. 367, 1950.
rat	LD50	oral	480mg/kg (480mg/kg)	BEHAVIORAL: TREMOR BEHAVIORAL: COMA LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Journal of Industrial Hygiene and Toxicology. Vol. 30, Pg. 71, 1948.