1-(2-Bromoethyl)-4-methoxybenzene
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Basic information
- CAS
14425-64-0- Standard SMILES
COc1ccc(CCBr)cc1- InChIKey
OXHPTABOQVHKLN-UHFFFAOYSA-N- Molecular formula
- C9H11BrO
- Average molar mass
- 215.09 g/mol
- Monoisotopic mass
- 213.99932707
Names & identifiers
- Preferred name
- 1-(2-Bromoethyl)-4-methoxybenzene
- IUPAC
- 1-(2-bromoethyl)-4-methoxybenzene
- English name
- 4-Methoxyphenethyl bromide
- Molecular formula
- C9H11BrO
- Molecular weight
- 215.09
Names & synonyms
1-(2-Bromoethyl)-4-methoxybenzene4-Methoxyphenethyl bromideAnisole, p-(2-bromoethyl)-p-Methoxyphenethyl bromidep-Methoxyphenylethyl bromide1-Bromo-2-(4-methoxyphenyl)ethane4G5X3SH435EINECS 238-393-8NSC-211474DTXSID40162656NSC 211474RefChem:74083
Show more names
4-Methoxyphenethyl broMide 97%4-METHOXYPHENETHYL BROMIDE(5 GMS)
DTXCID2085147238-393-8OXHPTABOQVHKLN-UHFFFAOYSA-N14425-64-0Benzene, 1-(2-bromoethyl)-4-methoxy-p-(2-Bromoethyl)anisole2-(4-methoxyphenyl)ethyl bromideMFCD07369786
Database identifiers
- CAS
14425-64-0- PubChem CID
- 84427
- DTXSID
DTXSID40162656- ChEMBL
CHEMBL56046- UNII
- 4G5X3SH435
- EC Number
- 238-393-8
- Nikkaji
- J105.288H
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 97.7
Physicochemical properties
- Melting point
- 160 · 160-200 °C
- Boiling point
- 94 · 94-96 °C2 mm Hg(lit.)
- Density
- 1.3763 g/mL · 1.3763 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.560(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- form
- solid
- Appearance
- Colorless to light yellow Liquid
- InChI
- InChI=1S/C9H11BrO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6-7H2,1H3
- InChIKey
- OXHPTABOQVHKLN-UHFFFAOYSA-N
- SMILES
- C1(CCBr)=CC=C(OC)C=C1
- FDA UNII
- 4 G5X3SH435 · 4G5X3SH435
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 2
- hs_code
- 2909309090
- risk_code
- 22-52/53
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
80 records
Compound notes
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