Basic information
- CAS
383142-67-4- Standard SMILES
O=Cc1nc(-c2ccc(Br)cc2)cs1- InChIKey
KWYHBOLLADFDBQ-UHFFFAOYSA-N- Molecular formula
- C10H6BrNOS
- Average molar mass
- 268.13 g/mol
- Monoisotopic mass
- 266.93535
Names & identifiers
- Preferred name
- 4-(4-Bromophenyl)-2-thiazolecarboxaldehyde
- IUPAC
- 4-(4-bromophenyl)-1,3-thiazole-2-carbaldehyde
- English name
- 4-(4-bromophenyl)-1,3-thiazole-2-carbaldehyde
- Molecular formula
- C10H6BrNOS
- Molecular weight
- 268.13
Names & synonyms
383142-67-44-(4-bromophenyl)-1,3-thiazole-2-carbaldehydeDTXSID6012659804-(4-Bromophenyl)-2-thiazolecarboxaldehydeRefChem:513939DTXCID601696632868-077-04-(4-Bromophenyl)thiazole-2-carbaldehyde4-(4-BROMO-PHENYL)-THIAZOLE-2-CARBALDEHYDEstarbld0003183SCHEMBL6818275IQA14267
Show more names
2-Thiazolecarboxaldehyde, 4-(4-bromophenyl)-JR-14119, 4-(4-Bromophenyl)thiazole-2-carbaldehyde, 97%
AKOS012227076EN300-8561993Z1037606466
Database identifiers
- CAS
383142-67-4- PubChem CID
- 53404169
- DTXSID
DTXSID601265980- EC Number
- 868-077-0
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- Boiling point
- 412.7 · 412.7±37.0 °C(Predicted)
- Density
- 1.622 · 1.622±0.06 g/cm3(Predicted)
- form
- solid
- pka
- -0.55 · -0.55±0.10(Predicted)
- InChI
- 1S/C10H6BrNOS/c11-8-3-1-7(2-4-8)9-6-14-10(5-13)12-9/h1-6H
- InChIKey
- KWYHBOLLADFDBQ-UHFFFAOYSA-N
- SMILES
- O=C([H])C1=NC(C2=CC=C(Br)C=C2)=CS1
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319-H315-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
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
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H319-H315-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers1 total
西安美科生物科技有限公司029-18710438009 18710438009 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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