Basic information
- CAS
222315-01-7- Standard SMILES
CC(C)COc1ccc(Br)cc1C=O- InChIKey
PZEZMIFLPKGDBB-UHFFFAOYSA-N- Molecular formula
- C11H13BrO2
- Average molar mass
- 257.12 g/mol
- Monoisotopic mass
- 256.00989
Names & identifiers
- Preferred name
- 5-Bromo-2-isobutoxybenzaldehyde
- IUPAC
- 5-bromo-2-(2-methylpropoxy)benzaldehyde
- English name
- 5-BROMO-2-ISOBUTOXYBENZALDEHYDE
- Molecular formula
- C11H13BrO2
- Molecular weight
- 257.12
Names & synonyms
5-bromo-2-isobutoxybenzaldehyde222315-01-75-bromo-2-(2-methylpropoxy)benzaldehydeMFCD03422448Benzaldehyde,5-bromo-2-(2-methylpropoxy)-SCHEMBL19285055-Bromo-2-iso-butoxybenzaldehyde5-bromo-2-isobutoxy-benzaldehydeDTXSID40359600PZEZMIFLPKGDBB-UHFFFAOYSA-NALBB-001273BBL016309
Show more names
IVK/1417370ZINC00616316Benzaldehyde, 5-bromo-2-(2-methylpropoxy)-5-bromo-2-isobutoxybenzaldehyde(SALTDATA: FREE)
STK399893AKOS000308798DA-37901VS-05259CS-0314190ST45082538H21372F307580
Database identifiers
- CAS
222315-01-7- PubChem CID
- 975040
- DTXSID
DTXSID40359600
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 182
Physicochemical properties
- Boiling point
- 324.4 · 324.4±22.0 °C(Predicted)
- Density
- 1.344 · 1.344±0.06 g/cm3(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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers11 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
西安莱茵生物科技有限公司86-(0)29-85992781 17792393971 · [email protected]
Novachemistry44-20819178-90 02081917890 · [email protected]
郑州凡尔赛特化工有限公司0371-67991738 13783628208 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
济南睿思医药技术有限公司0531-0531-69900633 19963472814 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
5 records
Compound notes
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