2-Bromo-2',5'-dimethoxyacetophenone

HCID 70997
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Basic information

CAS
1204-21-3
Standard SMILES
COc1ccc(OC)c(C(=O)CBr)c1
InChIKey
RGQNFYVSEWDUEI-UHFFFAOYSA-N
Molecular formula
C10H11BrO3
Average molar mass
259.1 g/mol
Monoisotopic mass
257.98915631

Names & identifiers

Preferred name
2-Bromo-2',5'-dimethoxyacetophenone
IUPAC
2-bromo-1-(2,5-dimethoxyphenyl)ethanone
English name
2-BROMO-2',5'-DIMETHOXYACETOPHENONE
Molecular formula
C10H11BrO3
Molecular weight
259.1

Names & synonyms

1204-21-32-Bromo-2',5'-dimethoxyacetophenone2-Bromo-1-(2,5-dimethoxyphenyl)ethanoneEthanone, 2-bromo-1-(2,5-dimethoxyphenyl)-2,5-Dimethoxyphenacyl bromidealpha-Bromo-2',5'-dimethoxyacetophenoneUNII-XV6ER0C1DTXV6ER0C1DTEINECS 214-873-2DTXSID9022152RGQNFYVSEWDUEI-UHFFFAOYSA-.alpha.-Bromo-2',5'-dimethoxy acetophenone
Show more names
AKOS BBS-00003866ω-Bromo-2',5'-dimethoxyacetophenoneα-Bromo-2',5'-dimethoxyacetophenoneA-BROMO-2',5'-DIMETHOXYACETOPHENONE1,4-Dimethoxy-2-(bromoacetyl)benzenebromomethyl 2,5-dimethoxyphenyl ketone2-Bromo-2',5'-dimethoxyacetophenone,97%
.ALPHA.-BROMO-2,5-DIMETHOXYACETOPHENONE.OMEGA.-BROMO-2,5-DIMETHOXYACETOPHENONEACETOPHENONE, 2-BROMO-2',5'-DIMETHOXY-RefChem:85633DTXCID702152alpha-bromo-2,5-dimethoxyacetophenonealpha-Bromo-2',5'-dimethoxy acetophenoneOMEGA-BROMO-2,5-DIMETHOXYACETOPHENONE

Database identifiers

CAS
1204-21-3
PubChem CID
70997
DTXSID
DTXSID9022152
UNII
XV6ER0C1DT
EC Number
214-873-2
Nikkaji
J149.815K

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
14

Physicochemical properties

Melting point
83 · 83-85 °C(lit.)
Boiling point
323.1 · 323.1±27.0 °C(Predicted)
Density
1.5471 · 1.5471 (rough estimate)
refractive index
1.462 · 1.4620 (estimate)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
Appearance
White to off-white Solid

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationREACH registered substance: Bromomethyl 2,5-dimethoxyphenyl ketone (EC: 214-873-2)
Hazard Classes and CategoriesSkin Irrit. 2 (97.6%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
ridadr
UN 2811 6.1/PG 3
hs_code
29147000
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Applications

Uses2-Bromo-2′,5′-dimethoxyacetophenone can be used in composing phase change inks.

General Description2-Bromo-2′,5′-dimethoxyacetophenone can be used in composing phase change inks.

Preparation methods

PreparationObtained by bromination of 2,5-dimethoxyacetophenone using polymersupported pyridinium bromide perbromide in chloroform at r.t.

Upstream & downstream products

Suppliers100 total

南京波普生物医药研发有限公司025-87138562 18951783565 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [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]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Related reactions

31 records
New reaction record

Compound notes

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