Benzene, 2-bromo-1,4-dimethoxy-

HCID 91353
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Basic information

CAS
25245-34-5
Standard SMILES
COc1ccc(OC)c(Br)c1
InChIKey
DWCGNRKFLRLWCJ-UHFFFAOYSA-N
Molecular formula
C8H9BrO2
Average molar mass
217.06 g/mol
Monoisotopic mass
215.97859163

Names & identifiers

Preferred name
Benzene, 2-bromo-1,4-dimethoxy-
IUPAC
2-bromo-1,4-dimethoxybenzene
English name
1-Bromo-2,5-dimethoxybenzene
Molecular formula
C8H9BrO2
Molecular weight
217.06

Names & synonyms

2-Bromo-1,4-dimethoxybenzeneBenzene, 2-bromo-1,4-dimethoxy-EINECS 246-756-7DTXSID8067070DWCGNRKFLRLWCJ-UHFFFAOYSA-NSC 159052RefChem:562562DTXCID4037249246-756-7InChI=1/C8H9BrO2/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5H,1-2H31-Bromo-2,5-dimethoxybenzene25245-34-5
Show more names
AKOS 3321-Bromo-2,5-Dimethoxyb2,5-diMethoxylbroMophenol2,5-Dimethoxyphenyl bromide1,4-Dimethoxy-2-bromobenzene5-Bromo-1,4-dimethoxybenzene
2,5-dimethoxybromobenzeneMFCD00008355NSC1590522-bromo-4-methoxyanisoleSCHEMBL258418SCHEMBL11358289SCHEMBL21838216SCHEMBL29634588

Database identifiers

CAS
25245-34-5
PubChem CID
91353
DTXSID
DTXSID8067070
EC Number
246-756-7
Nikkaji
J236.103E

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
18.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
11

Physicochemical properties

Boiling point
130 · 130-131 °C/10 mmHg (lit.)
Density
1.445 g/mL · 1.445 g/mL at 25 °C (lit.)
refractive index
1.569 · 1.569-1.571
Flash point
110 °C · >110°C
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
form
clear liquid

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 75 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
tsca
TSCA listed
hs_code
29039990
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzene, 2-bromo-1,4-dimethoxy-: INACTIVE
Applications · 2 items

Uses2-Bromo-1,4-dimethoxybenzene has been used in preparation of S-(-)-2-[N-(trifluoroacetyl)amino]-1-(2,5-dimethoxy-4- bromophenyl)-1-propanone, 1,4-bis{4-[2-(4-pyridyl)ethenyl]phenyl}butadiyne and 1,4-bis{2,5-dimethoxy-4-[2-(4-pyridyl)ethenyl]phenyl}butadiyne and 1-bromo-4-iodo-2,5-dimethoxybenzene. It can be used as a chemical redox shuttle additive in Lithium ion batteries for repeated overcharge and overdischarge protection.

Uses1-Bromo-2,5-dimethoxybenzene has been used in preparation of:S-(-)-2-[N-(trifluoroacetyl)amino]-1-(2,5-dimethoxy-4- bromophenyl)-1-propanone1,4-bis{4-[2-(4-pyridyl)ethenyl]phenyl}butadiyne and 1,4-bis{2,5-dimethoxy-4-[2-(4-pyridyl)ethenyl]phenyl}butadiyne1-bromo-4-iodo-2,5-dimethoxybenzene

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]

Related reactions

24 records
New reaction record

Compound notes

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