Basic information
- Standard SMILES
c1cscn1- InChIKey
FZWLAAWBMGSTSO-UHFFFAOYSA-N- Molecular formula
- C3H3NS
- Average molar mass
- 85.13 g/mol
- Monoisotopic mass
- 84.9986201
Overview
Thiazole appears as colorless or pale yellow liquid with a foul odor. (NTP, 1992)
Names & identifiers
- Preferred name
- Thiazole
- IUPAC
- 1,3-thiazole
- English name
- Thiazole
- Molecular formula
- C3H3NS
- Molecular weight
- 85.13
Names & synonyms
THIAZOLE288-47-11,3-ThiazoleThiazolesFEMA No. 3615320RCW8PEFDTXSID2059776CHEBI:43732RefChem:897653DTXCID4037875CHEBI:48901206-021-3
Show more names
FEMA 3615Thiazole >Thiazole,98%THIAZOLE 99+%FEMA NUMBER 3615Thiazole in methanolThiazole (6CI, 8CI, 9CI, ACI)
MFCD00005315THIAN-4-ONEOXIMEthiazoltzCCRIS 3205EINECS 206-021-3UNII-320RCW8PEFBRN 0103852
Database identifiers
- CAS
288-47-1- PubChem CID
- 9256
- DTXSID
DTXSID2059776- ChEMBL
CHEMBL15605- ChEBI
CHEBI:43732- UNII
- 320RCW8PEF
- EC Number
- 206-021-3
- Nikkaji
- J26D
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 30.1
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Thiazoles
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP
0.44
0.44
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
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
Refractive Index1.531-1.541
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
Physicochemical properties
- Melting point
- -33 °C · -33°C
- Boiling point
- 117 · 117-118 °C (lit.)
- Density
- 1.2 g/mL · 1.2 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.538(lit.)
- FEMA
- 3615 · 3615 | THIAZOLE
- Flash point
- 72 °F · 72 °F
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- pka
- 2.44 · 2.44(at 20℃)
- form
- Liquid
- color
- Clear colorless to yellow
- Specific Gravity
- 1.2 · 1.200
- Odor
- 0.1 % · at 0.10 % in propylene glycol. pyridine nutty meaty
- Odor Type
- fishy
- biological source
- synthetic
- Water Solubility
- slightly soluble
- Sensitive
- Air & Light Sensitive
- Merck
- 14 · 14,9307
- JECFA Number
- 1032 · 1032
- BRN
- 103852 · 103852
- Stability
- 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 DataBase Reference
- 288 · 288-47-1(CAS DataBase Reference)
- Substances Added to Food (formerly EAFUS)
- THIAZOLE
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 320 RCW8PEF · 320RCW8PEF
- NIST Chemistry Reference
- Thiazole(288-47-1)
- EPA Substance Registry System
- Thiazole (288-47-1)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H302
- Precautionary statements
- 210 · P210-P233-P240-P241-P242-P301+P312
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn,F
- Risk Statements
- 10 · 10-22-37/38-41
- Safety Statements
- 16 · 16-26-39
- RIDADR
- 1993 · UN 1993 3/PG 3
- WGK Germany
- 3 · 3
- RTECS
- 1290000 · XJ1290000
- F
- 8 · 8-10-23
- TSCA
- TSCA listed
- HazardClass
- 3 · 3
- PackingGroup
- II
- HS Code
- 29341000 · 29341000
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 4 OralFlam · Acute Tox. 4 OralFlam. Liq. 2
Safety & regulation
GHS classification
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.
Hazard information
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
DOT LabelCombustible Liquid
Fire HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Health HazardsExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Hazards SummaryAn eye irritant; Harmful by ingestion; [Alfa Aesar MSDS] See 4-Methylthiazole.
Reactive GroupAmines, Phosphines, and Pyridines
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.
Air and Water ReactionsSlightly water soluble.
Hazard Classes and CategoriesFlam. Liq. 2 (86.3%)
Safety & protection
Fire FightingExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
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.
Nonfire Spill ResponseExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Isolation and EvacuationExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
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)
Safety data
- F
- 8-10-23
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- XJ1290000
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29341000
- risk_code
- 10-22-37/38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xn,F
- safety_code
- 16-26-39
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- Hazard statements
- H225-H302
- Hazard Classifications
- Acute Tox. 4 OralFlam. Liq. 2
- Precautionary statements
- P210-P233-P240-P241-P242-P301+P312
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
UsesUsed as a flavoring agent; [FDA] Used to make fungicides, dyes, and rubber accelerators; [NTP]
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationThiazole: ACTIVE
Applications
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.
UsesThiazoles were used to create novel recognition motifs for interaction with divalent and trivalent metal ions in siderophores or antibiotics.
UsesThiazole 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.
UsesOrganic synthesis of fungicides, dyes, and rubber accelerators.
General DescriptionColorless or pale yellow liquid with a foul odor.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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Additional notes
DefinitionA colorless volatile liquid, a beterocyclic compound with a five-membered ring containing three carbon atoms, one nitrogen atom, and one sulfur atom. It resembles PYRIDINE in its reactions.
Definitionthiazole: A heterocyclic compound containing a five-membered ringwith sulphur and nitrogen heteroatoms, C3SNH3. A range of thiazoledyes are manufactured containingthis ring system.
Related reactions
420 records
Linked notes
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