Basic information
- CAS
14804-31-0- Standard SMILES
COc1ccc(Br)cc1C- InChIKey
UDLRGQOHGYWLCS-UHFFFAOYSA-N- Molecular formula
- C8H9BrO
- Average molar mass
- 201.06 g/mol
- Monoisotopic mass
- 199.98367701
Names & identifiers
- Preferred name
- 4-Bromo-1-methoxy-2-methylbenzene
- IUPAC
- 4-bromo-1-methoxy-2-methylbenzene
- English name
- 4-Bromo-1-methoxy-2-methylbenzene
- Molecular formula
- C8H9BrO
- Molecular weight
- 201.06
Names & synonyms
4-Bromo-2-methylanisole14804-31-04-Bromo-1-methoxy-2-methylbenzeneUDLRGQOHGYWLCS-UHFFFAOYSA-DTXSID50345958RefChem:518983DTXCID20297031604-620-8InChI=1/C8H9BrO/c1-6-5-7(9)3-4-8(6)10-2/h3-5H,1-2H35-Bromo-2-methoxytolueneBenzene, 4-bromo-1-methoxy-2-methyl-MFCD01321139
Show more names
BromomethoxytolueneMethyl-4-bromoanisole2-METHYL-4-BROMOANISOLE2-Methoxy-5-bromotoluene4-Allyloxy BroMo Benzene4-BROMO-2-METHYLANISOLE 98%5-Bromo-2-methoxytoluene >5-BROMO-2-METHOXYTOLUENE 98+%
4-BROMO-1-METHOXY-2-METHYL-BENZENESCHEMBL811314-Bromo-2-methylanisole, 98%1-bromo-4-methoxy-3-methylbenzene4-Bromo-1-methoxy-2-methylbenzene #AKOS009159159DS-14595SY018966
Database identifiers
- CAS
14804-31-0- PubChem CID
- 608315
- DTXSID
DTXSID50345958- EC Number
- 604-620-8
- Nikkaji
- J32.075G
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 105
Physicochemical properties
- Melting point
- 66 · 66-69 °C(lit.)
- Boiling point
- 124 · 124-125°C 25mm
- Density
- 1.378 · 1.378±0.06 g/cm3 (20 ºC 760 Torr)
- Flash point
- 124 · 124-125°C/25mm
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- color
- White to Light yellow
- BRN
- 208224 · 208224
- InChI
- 1S/C8H9BrO/c1-6-5-7(9)3-4-8(6)10-2/h3-5H,1-2H3
- InChIKey
- UDLRGQOHGYWLCS-UHFFFAOYSA-N
- SMILES
- COc1ccc(Br)cc1C
- CAS DataBase Reference
- 14804 · 14804-31-0(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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
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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29093090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
Uses4-Bromo-2-methylanisole may be used in the synthesis of 4-isopropyl-2-methylphenol and 4-methoxy-3-methylphenol.
General Description4-Bromo-2-methylanisole can be prepared by the bromination of o-methylanisole (2-methylanisole). It can also be prepared via reaction between 1-butyl-3-methylimidazolium tribromide [(Bmim)Br3] and an activated aromatic compound. It participates as a substrate for the a-arylation of sulphonamide in a study.
Upstream & downstream products
Upstream raw materials
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]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Related reactions
60 records
Compound notes
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