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6482-24-2 molecular structure
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1-bromo-2-methoxyethane

ChemBase ID: 8438
Molecular Formular: C3H7BrO
Molecular Mass: 138.99108
Monoisotopic Mass: 137.96802684
SMILES and InChIs

SMILES:
C(COC)Br
Canonical SMILES:
COCCBr
InChI:
InChI=1S/C3H7BrO/c1-5-3-2-4/h2-3H2,1H3
InChIKey:
YZUPZGFPHUVJKC-UHFFFAOYSA-N

Cite this record

CBID:8438 http://www.chembase.cn/molecule-8438.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-bromo-2-methoxyethane
IUPAC Traditional name
2-bromoethyl methyl ether
Synonyms
1-Bromo-2-methoxyethane
2-Bromoethyl methyl ether 98%
2-Bromoethyl methyl ether
1-bromo-2-methoxyethane
2-Methoxyethyl bromide
2-Bromoethyl methyl ether
2-甲氧基溴乙烷
2-溴乙基甲基醚
2-溴乙基 甲基 醚
CAS Number
6482-24-2
EC Number
229-339-4
MDL Number
MFCD00000236
PubChem SID
24854144
160971745
PubChem CID
80972

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.9745346  LogD (pH = 7.4) 0.9745346 
Log P 0.9745346  Molar Refractivity 25.3393 cm3
Polarizability 9.862914 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
109-110°C expand Show data source
109-110°C expand Show data source
40-41 °C/66 mmHg(lit.) expand Show data source
40-41°C/66mm expand Show data source
Flash Point
28 °C expand Show data source
28°C expand Show data source
28°C(82°F) expand Show data source
82.4 °F expand Show data source
Density
1.478 expand Show data source
1.479 expand Show data source
1.479 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.4470 expand Show data source
1.448 expand Show data source
1.4480 expand Show data source
n20/D 1.447(lit.) expand Show data source
Storage Warning
Flammable/Irritant/Lachrymatory/Light Sensitive/Air Sensitive/Store under Argon/Keep Cold expand Show data source
KEEP COLD, LACHRYMATOR, FLAMMABLE expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
UN Number
3271 expand Show data source
UN3271 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
3 expand Show data source
III expand Show data source
Risk Statements
10-36/37/38 expand Show data source
Safety Statements
16-26-37/39 expand Show data source
26-37 expand Show data source
TSCA Listed
true expand Show data source
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H226-H315-H319-H335 expand Show data source
GHS Precautionary statements
P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A expand Show data source
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 3271 3/PG 3 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
95% expand Show data source
96%, stab. with sodium carbonate expand Show data source
98% expand Show data source
Linear Formula
BrCH2CH2OCH3 expand Show data source

DETAILS

DETAILS

Apollo Scientific Apollo Scientific Sigma Aldrich Sigma Aldrich
Apollo Scientific Ltd - OR11137 external link
Stabilised with sodium carbonate
Sigma Aldrich - 238155 external link
Packaging
5, 25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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