Basic information
- CAS
88982-79-0- Standard SMILES
O=Cc1nscc1Br- InChIKey
RPYFJDIQHJSSRU-UHFFFAOYSA-N- Molecular formula
- C4H2BrNOS
- Average molar mass
- 192.04 g/mol
- Monoisotopic mass
- 190.90405
Names & identifiers
- Preferred name
- 4-Bromo-1,2-thiazole-3-carbaldehyde
- IUPAC
- 4-bromo-1,2-thiazole-3-carbaldehyde
- English name
- 3-Isothiazolecarboxaldehyde, 4-bromo-
- Molecular formula
- C4H2BrNOS
- Molecular weight
- 192.03
Names & synonyms
88982-79-04-bromo-1,2-thiazole-3-carbaldehydeRefChem:518822894-968-94-Bromoisothiazole-3-carbaldehydeMFCD246761704-Bromo-3-isothiazolecarboxaldehyde3-Isothiazolecarboxaldehyde, 4-bromo-SCHEMBL19100242NDA98279AT21087SY310829
Show more names
EN300-4410755
Database identifiers
- CAS
88982-79-0- PubChem CID
- 83670174
- EC Number
- 894-968-9
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 100
Physicochemical properties
- Boiling point
- 146 · 146.0±33.0 °C(Predicted)
- Density
- 1.92 · 1.920±0.06 g/cm3(Predicted)
- pka
- 0.36 · 0.36±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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)
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers4 total
台州南峰药物研究所[email protected] 13127117265 · [email protected]
北京六合宁远医药科技股份有限公司010-60400365-8001 15910885229 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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