1-(2-Bromoethyl)-4-methoxybenzene

HCID 84427CAS 14425-64-0
Substructure searchFind similar structures

Basic information

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 properties

XLogP
3.3
Topological polar surface area
9.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
11

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

Safety & regulation

GHS classification

GHS Classification · 4 items

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

Chemistry & industry

Upstream & downstream products

Suppliers50 total

上海康恩博医药科技有限公司17510465506 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [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]

Related reactions

80 records
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Linked notes

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