2-Bromophenetole

HCID 68500

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Basic information

CAS: 583-19-7
Standard SMILES: CCOc1ccccc1Br
InChIKey: JVEQWIQHHWNMQX-UHFFFAOYSA-N
Molecular formula: C8H9BrO
Average molar mass: 201.06 g/mol
Monoisotopic mass: 199.98367701

Names & identifiers

Preferred name: 2-Bromophenetole
IUPAC: 1-bromo-2-ethoxybenzene
English name: 2-Bromophenetole
Molecular formula: C8H9BrO
Molecular weight: 201.06

Names & synonyms

2-BromophenetoleBenzene, 1-bromo-2-ethoxy-EINECS 209-501-0NSC 8054AI3-01058DTXSID70207024RefChem:467290DTXCID70129515209-501-01-bromo-2-ethoxybenzene583-19-7o-Bromophenetole

Show more names

AI301058AI3 010582-BROMOPHENETOLE 99%2-Bromophenol, ethyl ether1-Bromo-2-ethoxy-benzene >=97.0% (GC)

1-bromo-2-ethoxy-benzeneMFCD00061092bromophenetole2-ethoxybromobenzeneNSC80542-bromo-1-ethoxybenzene2-bromo-1-ethoxy benzenePS-6235

Database identifiers

CAS: 583-19-7
PubChem CID: 68500
DTXSID: DTXSID70207024
EC Number: 209-501-0
Nikkaji: J94.984A

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 95.3

Experimental & physicochemical properties

SpringerMaterials PropertiesDiamagnetic susceptibility

Physicochemical properties

Melting point: 201 · 201-202 °C
Boiling point: 223 °C · 223°C (rough estimate)
Density: 1.3646 · 1.3646 (rough estimate)
refractive index: 1.546 · 1.5460 (estimate)
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform (Soluble), Methanol (Sparingly)
form: Oil
color: Colourless
BRN: 2043678 · 2043678
InChI: 1S/C8H9BrO/c1-2-10-8-6-4-3-5-7(8)9/h3-6H,2H2,1H3
InChIKey: JVEQWIQHHWNMQX-UHFFFAOYSA-N
SMILES: CCOc1ccccc1Br
UNSPSC Code: 12352101 · 12352101
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Hazard Codes: Xi
WGK Germany: 3 · 3
Hazard Note: Irritant
HS Code: 2909303890 · 2909303890
Storage Class: 12 · 12 - Non Combustible Liquids

Safety & regulation

GHS classification

GHS Classification · 4 items

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.