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96-50-4

Basic Information
CAS No.: 96-50-4
Name: 2-Aminothiazole
Molecular Structure:
Molecular Structure of 96-50-4 (2-Aminothiazole)
Formula: C3H4N2S
Molecular Weight: 100.14
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: HarmfulXn,IrritantXi
Risk Codes: 36/37-20/21/22
Safety: 26-36/37-39
Transport Information: UN 2811
PSA: 67.15000
LogP: 1.30650
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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.

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