Grundinformationen
- Standard-SMILES
c1cscn1- InChIKey
FZWLAAWBMGSTSO-UHFFFAOYSA-N- Summenformel
- C3H3NS
- Durchschnittliche Molmasse
- 85,13 g/mol
- Monoisotopische Masse
- 84,9986201
Überblick
Thiazole appears as colorless or pale yellow liquid with a foul odor. (NTP, 1992)
Namen und Bezeichner
- Bevorzugter Name
- Thiazole
- IUPAC
- 1,3-thiazole
- Lokaler Name
- Thiazol
- Englischer Name
- Thiazole
- Summenformel
- C3H3NS
- Molmasse
- 85.13
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
288-47-1- PubChem CID
- 9256
- DTXSID
DTXSID2059776- ChEMBL
CHEMBL15605- ChEBI
CHEBI:43732- UNII
- 320RCW8PEF
- EC Number
- 206-021-3
- Nikkaji
- J26D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,4
- Polarare Oberfläche (TPSA)
- 41,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 5
- Formalladung
- 0
- Komplexität
- 30,1
Experimentelle und physikochemische Eigenschaften
LogP
0.44
0.44
Density
1.1998 (NTP, 1992) - Denser than water; will sink
1.198-1.202
Solubility
Slightly soluble (NTP, 1992)
Slightly soluble in water; Soluble in ether
Miscible at room temperature (in ethanol)
Boiling Point
242.2 °F at 760 mmHg (NTP, 1992)
115.00 to 118.00 °C. @ 760.00 mm Hg
115-118 °C
Physical Description
Thiazole appears as colorless or pale yellow liquid with a foul odor. (NTP, 1992)
Colorless or light yellow liquid with a foul characteristic odor; [Merck Index] Colorless liquid with an unpleasant odor; [Alfa Aesar MSDS]
Liquid
Colourless to pale yellow liquid; green, sweet, nutty, tomatoe note
Physikochemische Eigenschaften
- Schmelzpunkt
- -33 °C · -33°C
- Siedepunkt
- 117 · 117-118 °C (lit.)
- Dichte
- 1.2 g/mL · 1.2 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.538(lit.)
- FEMA
- 3615 · 3615 | THIAZOLE
- Flammpunkt
- 72 °F · 72 °F
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- pka
- 2.44 · 2.44(at 20℃)
- Aggregatzustand
- Liquid
- Farbe
- Clear colorless to yellow
- Wichte
- 1.2 · 1.200
- Geruch (Odor)
- 0.1 % · at 0.10 % in propylene glycol. pyridine nutty meaty
- Geruchsart
- fishy
- Biologische Quelle
- synthetic
- Wasserlöslichkeit
- slightly soluble
- Merck
- 14 · 14,9307
- JECFA Number
- 1032 · 1032
- BRN
- 103852 · 103852
- Stabilität
- Stable. Incompatible with strong oxidizing agents.
- InChI
- 1S/C3H3NS/c1-2-5-3-4-1/h1-3H
- InChIKey
- FZWLAAWBMGSTSO-UHFFFAOYSA-N
- SMILES
- c1cscn1
- LogP
- 0.44 · 0.44
- CAS Datenbank
- 288 · 288-47-1(CAS DataBase Reference)
- NIST chemische Informationen
- Thiazole(288-47-1)
- EPA chemische Informationen
- Thiazole (288-47-1)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H225 (86.3%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 307 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Thiazole
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Thiazole: Does not have an individual approval but may be used under an appropriate group standard
Reactivity Profile
THIAZOLE, An organosulfide amine derivative. Organosulfides are incompatible with acids, diazo and azo compounds, halocarbons, isocyanates, aldehydes, alkali metals, nitrides, hydrides, and other strong reducing agents. Reactions with these materials generate heat and in many cases hydrogen gas. Many of these compounds may liberate hydrogen sulfide upon decomposition or reaction with an acid.
Sicherheit und Schutzausrüstung
First Aid
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.
Personal Protective Equipment (PPE)
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)
Sicherheitsdaten
- F
- 8-10-23
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29341000
- RTECS-Nr.
- XJ1290000
- risk_code
- 10-22-37/38-41
- hazard_code
- Xn,F
- safety_code
- 16-26-39
- hazard_class
- 3
- packing_group
- II
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Acute Tox. 4 OralFlam. Liq. 2
Chemie und Industrie
Pharmakologische Informationen
Verwendung und Herstellung
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Anwendungen
OccurrenceReported found in roasted chicken, chicken fat, boiled and cooked beef, grilled and roasted beef, pork liver, beer, cognac and other types of grape brandy, rum, coffee, roasted barley, roasted filbert, roasted peanut, soybean, popcorn, oat products, rice bran, buckwheat, malt, wort, dried bonito, crab, crayfish, Chinese quince and other natural sources.
VerwendenThiazole is used as a flavoring agent and in the preparation of dyes and rubber accelerators. It serves as a component of the vitamin thiamine (B1). It acts as a protected formyl group used in natural product synthesis. It reacts with alkyl lithium and Grignards reagent to prepare organometallic complexes. It is involved in the electrophilic aromatic substitution and nucleophilic aromatic substitution at C-5 and C-2 positions respectively. Further, it undergoes alkylation reaction to get thiazolium cation, which is used as a catalyst in the Stetter reaction and the Benzoin condensation. In addition to this, it is involved in the preparation of alagebrium.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Anbieter50 Anbieter
Ergänzende Hinweise
Definitionthiazole: A heterocyclic compound containing a five-membered ringwith sulphur and nitrogen heteroatoms, C3SNH3. A range of thiazoledyes are manufactured containingthis ring system.
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