Basic information
- Standard SMILES
COc1ccc(Br)c(OC)c1- InChIKey
NIUZVSQOXJIHBL-UHFFFAOYSA-N- Molecular formula
- C8H9BrO2
- Average molar mass
- 217.06 g/mol
- Monoisotopic mass
- 215.97859163
Names & identifiers
- Preferred name
- 1-Bromo-2,4-dimethoxybenzene
- IUPAC
- 1-bromo-2,4-dimethoxybenzene
- English name
- 1-Bromo-2,4-dimethoxybenzene
- Molecular formula
- C8H9BrO2
- Molecular weight
- 217.06
Names & synonyms
1-Bromo-2,4-dimethoxybenzene17715-69-42,4-DimethoxybromobenzeneBenzene, 1-bromo-2,4-dimethoxy-1,3-Dimethoxy-4-bromobenzene4-Bromoresorcinol dimethyl ether2,4-Dimethoxyphenyl bromide4-Bromo-1,3-dimethoxybenzene2,4-dimethoxy-1-bromobenzeneQU54UE5GSENIUZVSQOXJIHBL-UHFFFAOYSA-DTXSID50170262
Show more names
1-Bromo-2,4-dimethox3-Methoxy-4-bromoanisole2,4-diMethoxylbroMophenol1,3-Dmethoxy-4-bromobenzene
EINECS 241-717-0RefChem:75043DTXCID9092753241-717-0InChI=1/C8H9BrO2/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5H,1-2H3NIUZVSQOXJIHBL-UHFFFAOYSA-NMFCD000098441-Bromo-2,4-dimethoxy-benzene
Database identifiers
- CAS
17715-69-4- PubChem CID
- 87266
- DTXSID
DTXSID50170262- UNII
- QU54UE5GSE
- EC Number
- 241-717-0
- Nikkaji
- J236.216C
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
- Formal charge
- 0
- Complexity
- 119
Physicochemical properties
- Melting point
- 25 · 25-26 °C(lit.)
- Boiling point
- 153 · 153-155 °C18 mm Hg(lit.)
- Density
- 1.507 g/mL · 1.507 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.572(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Inert atmosphere,Room Temperature
- form
- Liquid
- Specific Gravity
- 1.507 · 1.507
- color
- Clear slightly yellow
- Water Solubility
- insoluble
- BRN
- 1867593 · 1867593
- InChI
- InChI=1S/C8H9BrO2/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5H,1-2H3
- InChIKey
- NIUZVSQOXJIHBL-UHFFFAOYSA-N
- SMILES
- C1(Br)=CC=C(OC)C=C1OC
- CAS DataBase Reference
- 17715 · 17715-69-4(CAS DataBase Reference)
- FDA UNII
- 54 UE5GSE · QU54UE5GSE
- NIST Chemistry Reference
- 1 · Benzene, 1-bromo-2,4-dimethoxy-(17715-69-4)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- HS Code
- 29093090 · 29093090
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
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 46 reports by companies from 6 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 ABEK (EN14387) respirator filter
- wgk
- 3
- hs_code
- 29093090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- hazard_class
- IRRITANT
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses1-Bromo-2,4-dimethoxybenzene was used in the synthesis of 2,3-disubstituted benzo[b]furans. It was also used in the synthesis of dendrimer Si[CH2CH2Si(Me)2-2,4-(MeO)2-C6H3]4.
Upstream & downstream products
Upstream raw materials
Downstream products
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