Basic information
- CAS
118721-56-5- Standard SMILES
O=C(O)C1CSC(c2cccc(Br)c2)N1- InChIKey
LZVZEQCJORCGOK-UHFFFAOYSA-N- Molecular formula
- C10H10BrNO2S
- Average molar mass
- 288.16 g/mol
- Monoisotopic mass
- 286.96156
Names & identifiers
- Preferred name
- 2-(3-Bromophenyl)-1,3-thiazolidine-4-carboxylic acid
- IUPAC
- 2-(3-bromophenyl)-1,3-thiazolidine-4-carboxylic acid
- English name
- 2-(3-Bromophenyl)-1,3-thiazolidine-4-carboxylic acid
- Molecular formula
- C10H10BrNO2S
- Molecular weight
- 288.16
Names & synonyms
2-(3-bromophenyl)-1,3-thiazolidine-4-carboxylic acid118721-56-5RefChem:455253970-407-4CBDivE_015886SCHEMBL16079706TEA72156STK298886AKOS000180368AKOS016044991ST031059CS-0258957
Show more names
4-Thiazolidinecarboxylic acid, 2-(3-bromophenyl)-
EN300-71886G30828AB00076955-01AH-487/13096054SR-01000573381SR-01000573381-12-(3-bromophenyl)-1,3-thiazolidine-4-carboxylicacidF0850-6075
Database identifiers
- CAS
118721-56-5- PubChem CID
- 2787214
- EC Number
- 970-407-4
- Nikkaji
- J749.745H
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- Melting point
- 159 · 159-161 °C(Solv: ethanol (64-17-5))
- Boiling point
- 472.7 · 472.7±45.0 °C(Predicted)
- Density
- 1.629 · 1.629±0.06 g/cm3(Predicted)
- pka
- 1.97 · 1.97±0.40(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, 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
Suppliers3 total
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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