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35294-28-1 molecular structure
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2-methoxy-1-(2-methoxynaphthalen-1-yl)naphthalene

ChemBase ID: 142006
Molecular Formular: C22H18O2
Molecular Mass: 314.37712
Monoisotopic Mass: 314.13067982
SMILES and InChIs

SMILES:
COc1ccc2ccccc2c1c1c2ccccc2ccc1OC
Canonical SMILES:
COc1ccc2c(c1c1c(OC)ccc3c1cccc3)cccc2
InChI:
InChI=1S/C22H18O2/c1-23-19-13-11-15-7-3-5-9-17(15)21(19)22-18-10-6-4-8-16(18)12-14-20(22)24-2/h3-14H,1-2H3
InChIKey:
BJAADAKPADTRCH-UHFFFAOYSA-N

Cite this record

CBID:142006 http://www.chembase.cn/molecule-142006.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methoxy-1-(2-methoxynaphthalen-1-yl)naphthalene
IUPAC Traditional name
2-methoxy-1-(2-methoxynaphthalen-1-yl)naphthalene
Synonyms
(r)-(+)-2,2'-dimethoxy-1,1'-biNaphthalene
(s)-(-)-2,2'-dimethoxy-1,1'-biNaphthalene
2,2'-Dimethoxy-1,1'-binaphthyl
2,2′-Dimethoxy-1,1′-binaphthyl
(±)-1,1′-Bi-2-naphthol dimethyl ether
2,2′-Dimethoxy-1,1′-binaphthalene
(S)-(-)-2,2′-Dimethoxy-1,1′-binaphthyl
(S)-1,1′-Bi-2-naphthyl dimethyl ether
(S)-(-)-2,2′-Dimethoxy-1,1′-binaphthalene
(R)-(+)-2,2′-Dimethoxy-1,1′-binaphthyl
(R)-1,1′-Bi-2-naphthyl dimethyl ether
(R)-(+)-2,2′-Dimethoxy-1,1′-binaphthalene
2,2'-二甲氧基-1,1'-联萘
(±)-1,1′-二-2-萘酚二甲醚
2,2′-二甲氧基-1,1′-联萘
(S)-1,1′-二-2-萘二甲醚
(S)-(-)-2,2′-二甲氧基-1,1′-联萘
(R)-1,1′-二-2-萘二甲醚
(R)-(+)-2,2′-二甲氧基-1,1′-联萘
CAS Number
35294-28-1
75640-87-8
2960-93-2
MDL Number
MFCD00091146
Beilstein Number
4704232
4704231
PubChem SID
24881579
162236238
24881567
24881589
PubChem CID
235616

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.284082  LogD (pH = 7.4) 5.284082 
Log P 5.284082  Molar Refractivity 97.021 cm3
Polarizability 41.66909 Å3 Polar Surface Area 18.46 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
196-200 °C(lit.) expand Show data source
227-231 °C(lit.) expand Show data source
Optical Rotation
[α]20/D +52°, c = 1% in chloroform expand Show data source
[α]20/D -52°, c = 1% in chloroform expand Show data source
European Hazard Symbols
Nature polluting Nature polluting (N) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
3077 expand Show data source
UN3077 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
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
9 expand Show data source
Packing Group
3 expand Show data source
III expand Show data source
Risk Statements
36/37/38-50/53 expand Show data source
37/38-41-50/53 expand Show data source
41 expand Show data source
Safety Statements
26-36 expand Show data source
26-36/39-60-61 expand Show data source
26-37-60-61 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H315-H318-H335-H410 expand Show data source
H318 expand Show data source
H318-H413 expand Show data source
H400-H410-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P273-P280-P305 + P351 + P338-P501 expand Show data source
P280G-P273-P305+P351+P338-P501A expand Show data source
P280-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
RID/ADR
UN 3077 9/PG 3 expand Show data source
Purity
≥98.5% (HPLC) expand Show data source
97% expand Show data source
99% expand Show data source
Optical Purity
enantiomeric excess: ≥98.5% expand Show data source
Empirical Formula (Hill Notation)
C22H18O2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 595292 external link
Packaging
1 g in glass bottle
Sigma Aldrich - 595519 external link
Packaging
250 mg in glass bottle
Sigma Aldrich - 595403 external link
Packaging
250 mg in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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