Basic information
- CAS
102684-91-3- Standard SMILES
O=Cc1cc(C(F)(F)F)ccc1Br- InChIKey
CSOBJYGHQOLWOD-UHFFFAOYSA-N- Molecular formula
- C8H4BrF3O
- Average molar mass
- 253.02 g/mol
- Monoisotopic mass
- 251.93976151
Names & identifiers
- Preferred name
- 2-Bromo-5-(trifluoromethyl)benzaldehyde
- IUPAC
- 2-bromo-5-(trifluoromethyl)benzaldehyde
- English name
- 2-Bromo-5-(trifluoromethyl)benzaldehyde
- Molecular formula
- C8H4BrF3O
- Molecular weight
- 253.02
Names & synonyms
2-Bromo-5-(trifluoromethyl)benzaldehyde102684-91-3DTXSID00907984RefChem:466747DTXCID301337071672-156-32-bromo-5-trifluoromethylbenzaldehydeBenzaldehyde, 2-bromo-5-(trifluoromethyl)-MFCD049737602-bromo-5-trifluoromethyl benzaldehydeSY014638bromo 5-trifluoromethyl benzaldehyde
Show more names
4-Bromo-3-formylbenzotrifluoride1-(4-Amino-2-hydroxyphenyl)ethane-2-one2-Bromo-5-(trifluoromethyl)benzaldehyde >2-BroMo-5-(trifluoroMethyl)benzaldehyde, 95+%4-Bromo-3-formylbenzotrifluoride, 6-Bromo-alpha,alpha,alpha-trifluoro-m-tolualdehyde
CL8259SBB063621AKOS0050638302-bromo-5-(trifluoromethy)benzaldehyde2-Bromo-5-trifluoromethyl-benzaldehydeAB21419AC-2296CS-W007492
Database identifiers
- CAS
102684-91-3- PubChem CID
- 7018047
- DTXSID
DTXSID00907984- EC Number
- 672-156-3
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 192
Physicochemical properties
- Boiling point
- 239.1 · 239.1±35.0 °C(Predicted)
- Density
- 1.677 · 1.677±0.06 g/cm3(Predicted)
- refractive index
- 1.511 · 1.511
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- clear liquid
- color
- Colorless to Light yellow to Light orange
- Sensitive
- Air Sensitive
- InChI
- InChI=1S/C8H4BrF3O/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-4H
- InChIKey
- CSOBJYGHQOLWOD-UHFFFAOYSA-N
- SMILES
- C(=O)C1=CC(C(F)(F)F)=CC=C1Br
- CAS DataBase Reference
- 102684 · 102684-91-3(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
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
H314 (11.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 9 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (11.1%)
Safety data
- hs_code
- 2913000090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
常州帝通化工有限公司+86-0519-88298848 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
泰州葛林美克医药科技有限公司15366892466
上海腾准生物科技有限公司19821570922 · [email protected]
Related reactions
83 records
Compound notes
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