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622-86-6 molecular structure
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(2-chloroethoxy)benzene

ChemBase ID: 92302
Molecular Formular: C8H9ClO
Molecular Mass: 156.60946
Monoisotopic Mass: 156.03419259
SMILES and InChIs

SMILES:
O(c1ccccc1)CCCl
Canonical SMILES:
ClCCOc1ccccc1
InChI:
InChI=1S/C8H9ClO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey:
VQUYNUJARXBNPK-UHFFFAOYSA-N

Cite this record

CBID:92302 http://www.chembase.cn/molecule-92302.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-chloroethoxy)benzene
IUPAC Traditional name
benzene, (2-chloroethoxy)-
Synonyms
β-Chlorophenetole
2-Chloroethyl phenyl ether
(2-Chloroethoxy)benzene
omega-CHLOROPHENETOL
1-Chloro-2-phenoxyethane
2-Phenoxyethyl Chloride
1-Phenoxy-2-chloroethane
NSC 1073
Phenyl 2-Chloroethyl Ether
2-Phenoxyethyl chloride
beta-Chlorophenetole
2-Phenoxyethyl chloride
(2-Chloroethoxy)benzene
β-氯苯乙醚
2-氯乙基苯基醚
(2-氯乙氧基)苯
2-苯氧基乙基氯
CAS Number
622-86-6
EC Number
210-757-0
MDL Number
MFCD00018946
Beilstein Number
971048
PubChem SID
24854775
24847162
162079000
PubChem CID
12156

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.4800644  LogD (pH = 7.4) 2.4800644 
Log P 2.4800644  Molar Refractivity 41.8645 cm3
Polarizability 16.503422 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)
Solubility
Chloroform expand Show data source
Ethyl Acetate expand Show data source
Apperance
Pale Yellow Oil expand Show data source
Melting Point
23-25°C expand Show data source
Boiling Point
88-93°C/15mm expand Show data source
97-98 °C/15 mmHg(lit.) expand Show data source
Flash Point
101 °C expand Show data source
109°C(228°F) expand Show data source
213.8 °F expand Show data source
Density
1.129 g/mL at 25 °C(lit.) expand Show data source
1.140 expand Show data source
Refractive Index
1.5335 expand Show data source
n20/D 1.534(lit.) expand Show data source
n20/D 1.536 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
36/38 expand Show data source
Safety Statements
23-26-37 expand Show data source
26-36 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319 expand Show data source
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P280-P305+P351+P338-P302+P352-P321-P362-P332+P313 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
≥97.0% (GC) expand Show data source
95+% expand Show data source
97% expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Linear Formula
C6H5OCH2CH2Cl expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05220405 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 114278 external link
Packaging
10 mL in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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