2-Bromo-1-(3,4-dimethoxyphenyl)propan-1-one
Basic information
- CAS
1835-05-8- Standard SMILES
COc1ccc(C(=O)C(C)Br)cc1OC- InChIKey
DFIFMYKGEATZJD-UHFFFAOYSA-N- Molecular formula
- C11H13BrO3
- Average molar mass
- 273.12 g/mol
- Monoisotopic mass
- 272.00481
Names & identifiers
- Preferred name
- 2-Bromo-1-(3,4-dimethoxyphenyl)propan-1-one
- IUPAC
- 2-bromo-1-(3,4-dimethoxyphenyl)propan-1-one
- English name
- 2-bromo-3-4-dimethoxypropiophenone
- Molecular formula
- C11H13BrO3
- Molecular weight
- 273.12
Names & synonyms
2-bromo-1-(3,4-dimethoxyphenyl)propan-1-one1835-05-82-bromo-3-4-dimethoxypropiophenoneMFCD099077482-bromo-1-(3,4-dimethoxyphenyl)-1-propanone2-Bromo-3',4'-dimethoxypropiophenoneNSC16951CHEMBL444246SCHEMBL10026167DFIFMYKGEATZJD-UHFFFAOYSA-NBAA83505NSC-16951
Show more names
1-Propanone, 2-bromo-1-(3,4-dimethoxyphenyl)-
AKOS009316697AS-40871SY128242CS-0216773EN300-59935F471675
Database identifiers
- CAS
1835-05-8- PubChem CID
- 226485
- ChEMBL
CHEMBL444246- EC Number
- 161-633-7
- Nikkaji
- J1.194.350K
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Melting point
- 82 · 82-85 °C
- Boiling point
- 334.1 · 334.1±27.0 °C(Predicted)
- Density
- 1.372 · 1.372±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
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
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Suppliers
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Related reactions
1 records
Compound notes
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