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1146-65-2 molecular structure
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(2H8)naphthalene

ChemBase ID: 106244
Molecular Formular: C10H8
Molecular Mass: 128.17052
Monoisotopic Mass: 128.06260026
SMILES and InChIs

SMILES:
c1ccc2ccccc2c1
Canonical SMILES:
c1ccc2c(c1)cccc2
InChI:
InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H
InChIKey:
UFWIBTONFRDIAS-UHFFFAOYSA-N

Cite this record

CBID:106244 http://www.chembase.cn/molecule-106244.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2H8)naphthalene
IUPAC Traditional name
(2H8)naphthalene
Synonyms
Naphthalene-d8
NAPHTHALENE-D8
萘-d8
CAS Number
1146-65-2
EC Number
214-552-7
MDL Number
MFCD00001743
PubChem SID
162094245
24867981
24850547
PubChem CID
92148

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 92148 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.9627225  LogD (pH = 7.4) 2.9627225 
Log P 2.9627225  Molar Refractivity 42.5082 cm3
Polarizability 18.115602 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
80-82 °C(lit.) expand Show data source
Boiling Point
218 °C(lit.) expand Show data source
Flash Point
174.2 °F expand Show data source
79 °C expand Show data source
Vapor Pressure
0.03 mmHg ( 25 °C) expand Show data source
Vapor Density
4.4 (vs air) expand Show data source
Mass Shift
M+8 expand Show data source
UN Number
1334 expand Show data source
MSDS Link
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
4.1 expand Show data source
Packing Group
3 expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS Signal Word
Warning expand Show data source
Explode Limits
5.9 % expand Show data source
GHS Hazard statements
H228 expand Show data source
GHS Precautionary statements
P210 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
RID/ADR
UN 1334 4.1/PG 3 expand Show data source
Purity
99% expand Show data source
99% (CP) expand Show data source
Grade
analytical standard expand Show data source
Isotopic Purity
99 atom % D expand Show data source
Certificate of Analysis
Download expand Show data source
Packaging
ampule of 250 mg expand Show data source
Mol. Weight
mol wt 136.14 by atom % calculation expand Show data source
Empirical Formula (Hill Notation)
C10D8 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02520396 external link
C10D8
Purity: 99% D atom
Sigma Aldrich - 176044 external link
Packaging
1, 5, 10 g in glass bottle
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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