2-Aminothiazole

HCID 2155CAS 96-50-4

Basic information

Standard SMILES
Nc1nccs1
InChIKey
RAIPHJJURHTUIC-UHFFFAOYSA-N
Molecular formula
C3H4N2S
Average molar mass
100.14 g/mol
Monoisotopic mass
100.00951931

Names & identifiers

Preferred name
2-Aminothiazole
IUPAC
1,3-thiazol-2-amine
English name
2-Aminothiazole
Molecular formula
C3H4N2S
Molecular weight
100.14

Names & synonyms

2-AMINOTHIAZOLEaminothiazole96-50-42-ThiazolamineAbadole2-ThiazolylamineAbadolBasedol2-Thiazylamine4-Thiazolin-2-onimineAminothiazolAminotiazol
Show more names
1,3-Thiazol-2-amine2-Amino-1,3-thiazolecp1585
Thiazole, 2-amino-AminothiazolumUSAF EK-P-5501RP 2921AminotiazoloDTXSID5024508NSC-19005K8WKN668K

Database identifiers

CAS
96-50-4
PubChem CID
2155
DTXSID
DTXSID5024508
ChEMBL
CHEMBL344760
ChEBI
CHEBI:40782
UNII
5K8WKN668K
EC Number
202-511-6
Nikkaji
J3.972A

Properties

Computed structural properties

XLogP
0.4
Topological polar surface area
67.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
6

Experimental & physicochemical properties

Solubilityless than 1 mg/mL at 68 °F (NTP, 1992)
Boiling PointDecomposes (NTP, 1992)
Melting Point194 °F (NTP, 1992)
Physical Description2-aminothiazole appears as light brown crystals or brown granular solid. (NTP, 1992)
Collision Cross Section · 2 items

117.2 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

141.48 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards];114.58 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Autoignition Temperature212 °F after 3.5 hours (NTP, 1992)

Physicochemical properties

Melting point
91 · 91-93 °C (lit.)
Boiling point
117 °C · 117 °C (15.002 mmHg)
Density
1.241 · 1.241 (estimate)
bulk density
600 kg/m3 · 600kg/m3
vapor pressure
1 hPa · <1 hPa (20 °C)
refractive index
1.53 · 1.5300 (estimate)

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H319 (82.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (31%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P304+P340, P305+P351+P338, P319, P330, P337+P317, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 87 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory Information · 3 items

Chemical: 2-Thiazolamine

Status: Active Update: 11-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21653

2-Aminothiazole: Does not have an individual approval but may be used under an appropriate group standard

Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health Hazards · 1 item

SYMPTOMS: Symptoms of exposure to this compound may include nausea, headache and weakness. It may also cause irritation.;ACUTE/CHRONIC HAZARDS: This compound may be harmful by ingestion, inhalation or skin absorption. It may cause irritation. When heated to decomposition, it may emit toxic fumes of carbon monoxide, carbon dioxide, NOx and SOx. (NTP, 1992)

Reactive GroupAmines, Phosphines, and Pyridines;Sulfides, Organic
Reactivity Profile2-AMINOTHIAZOLE reacts violently when nitrated with nitric or nitric-sulfuric acids. It is also incompatible with strong oxidizing agents, strong acids, acid chlorides and acid anhydrides. (NTP, 1992)
Air and Water ReactionsInsoluble in water.

Safety & protection

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 item

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.;SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.;INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing.;INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)

Nonfire Spill Response · 1 item

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing 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.;STORAGE PRECAUTIONS: You should store this chemical under refrigerated temperatures and away from mineral acids and bases. (NTP, 1992)

Personal Protective Equipment (PPE) · 1 item

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)

Regulatory information

Regulatory Information · 3 items

Chemical: 2-Thiazolamine

Status: Active Update: 11-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21653

2-Aminothiazole: Does not have an individual approval but may be used under an appropriate group standard

Safety data

F
8-9
wgk
3
tsca
TSCA listed
rtecs
XJ2100000
hs_code
29341000
Toxicity
LD50 orally in Rabbit: 480 mg/kg

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Thiazolamine: ACTIVE
Applications · 4 items

Usesantithyroid agent

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

Uses2-Aminothiazole is a heterocyclic amine and is the beginning reagent for the synthesis of many pharmaceutical and agricultural related compounds.

General DescriptionLight brown crystals or brown granular solid.

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
杭州景优化工有限公司87211835 13957193240 · [email protected]

Additional notes

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

Related reactions

1,965 records

Linked notes

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