Basic information
- CAS
31949-21-0- Standard SMILES
COc1ccccc1C(=O)CBr- InChIKey
GKNCPTLOPRDYMH-UHFFFAOYSA-N- Molecular formula
- C9H9BrO2
- Average molar mass
- 229.07 g/mol
- Monoisotopic mass
- 227.97859163
Names & identifiers
- Preferred name
- Bromomethyl 2-methoxyphenyl ketone
- IUPAC
- 2-bromo-1-(2-methoxyphenyl)ethanone
- English name
- 2-Bromo-2'-methoxyacetophenone
- Molecular formula
- C9H9BrO2
- Molecular weight
- 229.07
Names & synonyms
31949-21-02-Bromo-1-(2-methoxyphenyl)ethanoneBromomethyl 2-methoxyphenyl ketoneEINECS 250-870-2DTXSID80185783RefChem:570363DTXCID20108274250-870-22-Bromo-2'-methoxyacetophenone2-Methoxyphenacyl bromideMFCD00000196o-Methoxy phenacylbromide
Show more names
AKOS BBS-000038672'-METHOXYPHENACYL BROMIDE2-Methoxyphenacylbromide97%A-BROMO-O-METHOXYACETOPHENONE2-Methoxyphenacyl bromide 98%α-Bromo-2'-methoxyacetophenone2'-Methoxy-α-bromoacetophenone
2-Bromo-1-(2-Methoxyphenyl)Ethan-1-One2-Bromo-2 inverted exclamation mark -MethoxyAcetophenoneEthanone, 2-bromo-1-(methoxyphenyl)-2-Bromo-2'-Methoxy Acetophenone2-bromoacetylanisoleo-methoxyphenacyl bromide'-Methoxyphenacyl bromideorthomethoxy-phenacyl bromide
Database identifiers
- CAS
31949-21-0- PubChem CID
- 123440
- DTXSID
DTXSID80185783- ChEMBL
CHEMBL4797313- EC Number
- 250-870-2
- Nikkaji
- J278.210C
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- Melting point
- 43 · 43-45 °C(lit.)
- Boiling point
- 130 °C1 · 130 °C1 mm Hg(lit.)
- Density
- 1.4921 · 1.4921 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- form
- Crystalline Powder or Crystals
- color
- White to off-white
- Water Solubility
- Insoluble in water.
- Sensitive
- Lachrymatory
- BRN
- 1938788 · 1938788
- InChI
- InChI=1S/C9H9BrO2/c1-12-9-5-3-2-4-7(9)8(11)6-10/h2-5H,6H2,1H3
- InChIKey
- GKNCPTLOPRDYMH-UHFFFAOYSA-N
- SMILES
- C(=O)(C1=CC=CC=C1OC)CBr
- CAS DataBase Reference
- 31949 · 31949-21-0(CAS DataBase Reference)
- UNSPSC Code
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 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN 3261 8/PG 2
- hs_code
- 29147000
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C,T
- hazard_note
- Lachrymatory/Toxic/Keep Cold
- safety_code
- 22-26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H314
- Hazard Classifications
- Skin Corr. 1B
Chemistry & industry
Applications
Uses2-Bromo-2'-methoxyacetophenone is used as a pharmaceutical intermediate .
Preparation methods
PreparationAlso obtained according to the procedure of Buckman (80%).
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南京凯美西化工有限公司02558748998 18951874644 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
54 records
Compound notes
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