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Molecule
ID:107511
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₁₀H₈O₂
Molecular Mass
160.16932
Exact Mass
160.0524295
Charge
0
InChI
InChI=1S/C10H8O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6,11-12H
InChIKey
BOKGTLAJQHTOKE-UHFFFAOYSA-N
Canonic Smiles
Oc1cccc2c1cccc2O
Isomeric Smiles
Oc1cccc2c1cccc2O
Calculated Properties
JChem
Acid pKa
9.211189
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.355508
LogD (pH = 7.4)
2.3489587
Log P
2.355592
Molar Refractivity
46.47
Polarizability
19.078669
Polar Surface Area
40.46
Rotatable Bonds
0
Lipinski's Rule of Five
true
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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General Information
Calculated Properties
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RDKit
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JChem
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Names and Identifiers
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Synonyms
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IUPAC name
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IUPAC Traditional name
Registration numbers
Properties
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Product Information
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Safety Information
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Physical Property
Related Proteins
Molecular Spectra
Molecule Details
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MP Biomedicals
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Sigma Aldrich
References
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PubChem Literature
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From Data Sources
Bioactivity
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PubChem BioAssay
Data Source
Commercial Catalog
MP Biomedicals
05204028
Sigma Aldrich
D115606
37730
Bide Pharmatech
BD54907
Alfa Aesar
L04599
A&J Pharmtech
AJA-O11880
Academic Data
PubChem
6749
Names and Identifiers
Synonyms
1,5-DIHYDROXYNAPHTHALENE
1,5-萘二酚
1,5-Dihydroxynaphthalene
1,5-二羟基萘
1,5-Naphthalenediol
Naphthalene-1,5-diol
1,5-dihydroxy Naphthalene
IUPAC name
naphthalene-1,5-diol
IUPAC Traditional name
1,5-dihydroxynaphthalene
Registration numbers
CAS Number
83-56-7
Beilstein Number
2044951
EC Number
201-487-4
PubChem SID
24893367
162093809
24863217
MDL Number
MFCD00003980
PubChem CID
6749
Molecule Details
MP Biomedicals
05204028
MP Biomedicals Rare Chemical collection
Sigma Aldrich
D115606
Packaging
100, 500 g in poly bottle
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Registration numbers
•
CAS Number
•
Beilstein Number
•
EC Number
•
PubChem SID
•
MDL Number
•
PubChem CID
Properties
Product Information
Certificate of Analysis
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Source
Linear Formula
C10H6(OH)2
Source
Purity
97%
Source
≥95.0% (HPLC)
Source
98%
Source
Grade
purum
Source
Safety Information
Download link
Source
Download link
Source
Download link
Source
Harmful (Xn)
Physical Property
259-261 °C (dec.)(lit.)
Source
258-261 °C
Source
ca 260°C dec.
Source
252°C(486°F)
Source
Source
Harmful (X)
Source
RTECS
QJ4740000
Source
German water hazard class
2
Source
GHS Hazard statements
H302
Source
H301
-
H319
Source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Source
Safety Statements
22
-
24/25
Source
26
-
36
-
60
Source
GHS Signal Word
Warning
Source
GHS Pictograms
Acute toxicity (oral, dermal, inhalation), category 4
Skin irritation, category 2
Eye irritation, category 2
Skin sensitisation, category 1
Specific Target Organ Toxicity – Single exposure, category 3
Source
Acute toxicity (oral, dermal, inhalation), categories 1,2,3
Risk Statements
22
Source
22
-
36
Source
GHS Precautionary statements
P280
-
P301+P310
-
P305+P351+P338
-
P321
-
P405
-P501A
Source
TSCA Listed
是
Source
MSDS Link
European Hazard Symbols
Melting Point
Flash Point
Source