5-Bromo-4-methyl-1,3-thiazole-2-carbaldehyde
Basic information
- CAS
95453-56-8- Standard SMILES
Cc1nc(C=O)sc1Br- InChIKey
WWQWQYNWIVDNTA-UHFFFAOYSA-N- Molecular formula
- C5H4BrNOS
- Average molar mass
- 206.06 g/mol
- Monoisotopic mass
- 204.9197
Names & identifiers
- Preferred name
- 5-Bromo-4-methyl-1,3-thiazole-2-carbaldehyde
- IUPAC
- 5-bromo-4-methyl-1,3-thiazole-2-carbaldehyde
- English name
- 5-BroMo-4-Methylthiazole-2-carbaldehyde
- Molecular formula
- C5H4BrNOS
- Molecular weight
- 206.06
Names & synonyms
95453-56-85-bromo-4-methyl-1,3-thiazole-2-carbaldehydeDTXSID00717767RefChem:301900DTXCID50668513692-639-25-bromo-4-methylthiazole-2-carbaldehyde2-Thiazolecarboxaldehyde, 5-bromo-4-methyl-MFCD19440535SCHEMBL3715692VDA45356AKOS007930747
Show more names
LF-02165-Bromo-4-methyl thiazole-2-carbaldehyde5-bromo-4-methyl-thiazole-2-carbaldehydeDA-17406EN300-343182Z1269205860
Database identifiers
- CAS
95453-56-8- PubChem CID
- 56587799
- DTXSID
DTXSID00717767- EC Number
- 692-639-2
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 122
Physicochemical properties
- Boiling point
- 300.4 · 300.4±34.0 °C(Predicted)
- Density
- 1.772 · 1.772±0.06 g/cm3(Predicted)
- pka
- 0.04 · 0.04±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335-H302-H332-H312
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312-P264-P280-P305+P351+P338-P337+P313P
- HS Code
- 2934999090 · 2934999090
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335-H302-H332-H312
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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