1-Bromo-3,6-dioxaheptane

HCID 123532CAS 54149-17-6

Substructure search Find similar structures

Basic information

Standard SMILES: COCCOCCBr
InChIKey: HUXJXNSHCKHFIL-UHFFFAOYSA-N
Molecular formula: C5H11BrO2
Average molar mass: 183.04 g/mol
Monoisotopic mass: 181.99424169

Names & identifiers

Preferred name: 1-Bromo-3,6-dioxaheptane
IUPAC: 1-(2-bromoethoxy)-2-methoxyethane
English name: 1-Bromo-2-(2-methoxyethoxy)ethane
Molecular formula: C5H11BrO2
Molecular weight: 183.04

Names & synonyms

1-Bromo-2-(2-methoxyethoxy)ethane54149-17-61-Bromo-3,6-dioxaheptaneEINECS 259-000-6DTXSID30202494RefChem:430346DTXCID30124985259-000-61-(2-bromoethoxy)-2-methoxyethanem-PEG2-BrmPEG2-BrEthane, 1-(2-bromoethoxy)-2-methoxy-

Show more names

DK815DKSI138DKFELEX0212CAS_54149-17-6Bromo-PEG2-methoxyMethyl-PEG2-bromideMONO METHOXY PEG BROMIDE1-BROMO-(2-METHOXYETHOXY)ETHANE

MFCD000002381-(2-bromoethoxy)-2-methoxy-ethane2-(2-methoxyethoxy)ethyl bromide1-Bromo-2-(2-methoxyethoxy)ethane (stabilized with Na2CO3)1-Bromo-2-(methoxyethoxy)ethaneAKOS000169158Ethylene Glycol 2-Bromoethyl Methyl EtherB4736

Database identifiers

CAS: 54149-17-6
PubChem CID: 123532
DTXSID: DTXSID30202494
UNII: H9KCU93SFZ
EC Number: 259-000-6
Nikkaji: J279.590F

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 8
Formal charge: 0
Complexity: 41.4

Physicochemical properties

Boiling point: 156 °C · 156 °C (lit.) 37-40 °C/0.01 mmHg (lit.)
Density: 1.36 g/mL · 1.3600 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.455(lit.)
Flash point: 163 °F · 163 °F
storage temp.: 2 · 2-8°C
form: Liquid
color: Clear colorless to pale yellow
Water Solubility: Not miscible in water.
Sensitive: Light Sensitive
BRN: 2069579 · 2069579
InChI: InChI=1S/C5H11BrO2/c1-7-4-5-8-3-2-6/h2-5H2,1H3
InChIKey: HUXJXNSHCKHFIL-UHFFFAOYSA-N
SMILES: C(OCCBr)COC
CAS DataBase Reference: 54149 · 54149-17-6(CAS DataBase Reference)
NIST Chemistry Reference: 1 · 1-Bromo-2-(2-methoxyethoxy)ethane(54149-17-6)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 227 · H227
Precautionary statements: 210 e-P280a-P370+P378a-P403+P235-P501a · P210e-P280a-P370+P378a-P403+P235-P501a
PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
Risk Statements: 36 · 36/37/38
Safety Statements: 24 · 24/25
WGK Germany: 3 · 3
HS Code: 29091990 · 29091990
Storage Class: 10 · 10 - Combustible liquids

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H227 (50%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, 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.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 4 (50%)

Safety data

PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
wgk: 3
hs_code: 29091990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25
Storage Class: 10 - Combustible liquids
Hazard statements: H227
Precautionary statements: P210e-P280a-P370+P378a-P403+P235-P501a

Chemistry & industry

Applications

Uses1-Bromo-2-(2-methoxyethoxy)ethane is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.