Basic information
- CAS
589-10-6- Standard SMILES
BrCCOc1ccccc1- InChIKey
JJFOBACUIRKUPN-UHFFFAOYSA-N- Molecular formula
- C8H9BrO
- Average molar mass
- 201.06 g/mol
- Monoisotopic mass
- 199.98367701
Names & identifiers
- Preferred name
- Benzene, (2-bromoethoxy)-
- IUPAC
- 2-bromoethoxybenzene
- English name
- 2-Phenoxyethylbromide
- Molecular formula
- C8H9BrO
- Molecular weight
- 201.06
Names & synonyms
(2-Bromoethoxy)benzene589-10-62-Bromoethyl phenyl etherbeta-Bromophenetole2-Phenoxyethyl bromideBenzene, (2-bromoethoxy)-beta-Phenoxyethyl bromideNSC 8055Phenetole, beta-bromo-EINECS 209-634-4AI3-091751Bromo2phenoxyethane
Show more names
AKOS BC-2647-BromophenetoleBeta-broMoetherá-bromophenetoleB-BROMOPHENETOLEβ-BromophenetoleAKOS BBS-00006631
Phenetole, betabromo2phenoxyethyl bromide(2Bromoethoxy)benzenebetaPhenoxyethyl bromide2Bromoethyl phenyl etherBenzene, (2bromoethoxy)RefChem:562108Phenetole, betabromo (8CI)
Database identifiers
- CAS
589-10-6- PubChem CID
- 68526
- DTXSID
DTXSID9049322- ChEMBL
CHEMBL3188706- EC Number
- 209-634-4
- Nikkaji
- J94.983C
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 79.3
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Halogenated Ethers
SpringerMaterials PropertiesDiamagnetic susceptibility
Physical DescriptionColorless crystalline solid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 31 · 31-34 °C(lit.)
- Boiling point
- 144 °C40 · 144 °C40 mm Hg(lit.)
- Density
- 1.45 · 1.45
- refractive index
- 1.555 · 1.555-1.557
- Flash point
- 150 °F · 150 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Solubility in methanol is almost transparent. Soluble in chloroform and ethyl acetate.
- form
- Liquid After Melting
- color
- Clear colorless
- Water Solubility
- Insoluble in water.
- BRN
- 508290 · 508290
- InChI
- 1S/C8H9BrO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7H2
- InChIKey
- JJFOBACUIRKUPN-UHFFFAOYSA-N
- SMILES
- BrCCOc1ccccc1
- CAS DataBase Reference
- 589 · 589-10-6(CAS DataBase Reference)
- NIST Chemistry Reference
- Benzene, (2-bromoethoxy)-(589-10-6)
- EPA Substance Registry System
- Benzene, (2-bromoethoxy)- (589-10-6)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/37/38-22
- Safety Statements
- 23 · 23-24/25-26
- RIDADR
- 1325 · 1325
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- TSCA
- TSCA listed
- HazardClass
- 4.1 · 4.1
- PackingGroup
- II
- HS Code
- 29093038 · 29093038
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 4.2% (2 of 48) of reports.
Warning
H302 (81.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 23-09-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/16704
Hazards SummaryA skin and strong eye irritant; Harmful by ingestion; [Sigma-Aldrich MSDS]
Peroxide Forming Chemical
beta-Bromophenetole
D: Other compounds that may form peroxides
Kelly
Hazard Classes and CategoriesAcute Tox. 4 (81.2%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 1325
- hs_code
- 29093038
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 23-24/25-26
- hazard_class
- 4.1
- Storage Class
- 11 - Combustible Solids
- packing_group
- II
- Hazard statements
- H315-H319
- REACH Registrations
- Active
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2
- Precautionary statements
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, (2-bromoethoxy)-: ACTIVE
Applications
Uses2-Phenoxyethyl bromide is used in the synthesis and antihypertensive activity of 4'-substituted spiro[4H-3,1-benzoxazine-4,4'-piperidin]-2(1H)-ones.
Preparation methods
Preparation2-Phenoxyethyl bromide is synthesized by the reaction of phenol and dibromoethane. Put phenol, dibromoethane and sodium hydroxide in a reaction pot and stir and mix, react at 110 °C for 6 hours, recover dibromoethane, the recovery amount is about 60%, wash with 5% sodium hydroxide solution and water, and divide Take the oil layer, distill under reduced pressure, and collect the fractions at 130-150°C (6.7kPa) to obtain (2-bromoethoxy)benzene.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
269 records
Compound notes
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