2-(1-Chloroethyl)-1,3-thiazole
Basic information
- CAS
40982-31-8- Standard SMILES
CC(Cl)c1nccs1- InChIKey
REGJKLHADIYSNP-UHFFFAOYSA-N- Molecular formula
- C5H6ClNS
- Average molar mass
- 147.63 g/mol
- Monoisotopic mass
- 146.9909481
Names & identifiers
- Preferred name
- 2-(1-Chloroethyl)-1,3-thiazole
- IUPAC
- 2-(1-chloroethyl)-1,3-thiazole
- English name
- 2-(1-Chloro-ethyl)-thiazole
- Molecular formula
- C5H6ClNS
- Molecular weight
- 147.63
Names & synonyms
2-(1-Chloroethyl)thiazole40982-31-82-(1-chloroethyl)-1,3-thiazoleDTXSID80624384RefChem:450904DTXCID10575138997-052-82-(1-Chloro-ethyl)-thiazoleMFCD13179619SCHEMBL4137927QBA98231AKOS014313348
Show more names
Thiazole, 2-(1-chloroethyl)-
DA-17331EN300-1272632
Database identifiers
- CAS
40982-31-8- PubChem CID
- 22285684
- DTXSID
DTXSID80624384- EC Number
- 997-052-8
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 78.8
Physicochemical properties
- Boiling point
- 178 ℃ · 178℃
- Density
- 1.26 · 1.260
- Flash point
- 62 ℃ · 62℃
- storage temp.
- 2 · 2-8°C
- pka
- 2.08 · 2.08±0.10(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Suppliers
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Related reactions
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Compound notes
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