Basic information
- CAS
186191-19-5- Standard SMILES
O=Cc1cccc(OCCBr)c1- InChIKey
FYSRAGLPXRVAPN-UHFFFAOYSA-N- Molecular formula
- C9H9BrO2
- Average molar mass
- 229.07 g/mol
- Monoisotopic mass
- 227.97859163
Names & identifiers
- Preferred name
- 3-(2-Bromoethoxy)benzaldehyde
- IUPAC
- 3-(2-bromoethoxy)benzaldehyde
- English name
- 3-(2-Bromoethoxy)benzenecarbaldehyde
- Molecular formula
- C9H9BrO2
- Molecular weight
- 229.07
Names & synonyms
3-(2-bromoethoxy)benzaldehyde186191-19-5DTXSID90370800RefChem:273576DTXCID103218343-(2-Bromoethoxy)benzenecarbaldehydeMFCD006651783-(2-Bromoethoxy)benzenecarboxaldehyde3-(2-bromoethoxyl)benzaldehydeSCHEMBL1607743FYSRAGLPXRVAPN-UHFFFAOYSA-NSBB097392
Show more names
Benzaldehyde, 3-(2-bromoethoxy)-
AKOS000113685AT40440DB-104897CS-01185103G-935
Database identifiers
- CAS
186191-19-5- PubChem CID
- 2735565
- DTXSID
DTXSID90370800- Nikkaji
- J1.349.921G
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Boiling point
- 126 · 126-130°C 0,2mm
- Density
- 1.479 · 1.479±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
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2913000090 · 2913000090
Safety & regulation
Safety data
- hs_code
- 2913000090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
11 records
Compound notes
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