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66-77-3 molecular structure
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naphthalene-1-carbaldehyde

ChemBase ID: 89577
Molecular Formular: C11H8O
Molecular Mass: 156.18062
Monoisotopic Mass: 156.05751488
SMILES and InChIs

SMILES:
O=Cc1cccc2ccccc12
Canonical SMILES:
O=Cc1cccc2c1cccc2
InChI:
InChI=1S/C11H8O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H
InChIKey:
SQAINHDHICKHLX-UHFFFAOYSA-N

Cite this record

CBID:89577 http://www.chembase.cn/molecule-89577.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
naphthalene-1-carbaldehyde
IUPAC Traditional name
1-naphthaldehyde
Synonyms
1-NAPHTHALDEHYDE, REAGENT GRADE
α-NAPHTHALDEHYDE
α-Naphthaldehyde
1-Naphthaldehyde
1-Formylnaphthalene
1-Naphthaldehyde
1-Naphthalenecarboxaldehyde
1-Naphathalenecarboxaldehyde
α-萘甲醛
1-萘甲醛
1-萘醛
CAS Number
66-77-3
EC Number
200-633-4
MDL Number
MFCD00004003
Beilstein Number
386082
PubChem SID
162076452
24897459
24886065
PubChem CID
6195

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.675225  LogD (pH = 7.4) 2.675225 
Log P 2.675225  Molar Refractivity 49.0922 cm3
Polarizability 19.836798 Å3 Polar Surface Area 17.07 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
1°C expand Show data source
1-2 °C(lit.) expand Show data source
1-2°C expand Show data source
1-2°C expand Show data source
Boiling Point
160-161 °C/15 mmHg(lit.) expand Show data source
160-161°C/15mm expand Show data source
160-161°C/15mm expand Show data source
Flash Point
110 °C expand Show data source
112°C(233°F) expand Show data source
230 °F expand Show data source
Density
1.148 expand Show data source
1.15 g/ml expand Show data source
1.15 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.6520 expand Show data source
n20/D 1.652(lit.) expand Show data source
Vapor Density
>1 (vs air) expand Show data source
Storage Condition
2-8°C, Store Under Nitrogen expand Show data source
Storage Warning
Air Sensitive expand Show data source
Irritant expand Show data source
RTECS
QJ0190000 expand Show data source
European Hazard Symbols
X expand Show data source
Harmful Harmful (Xn) 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
22 expand Show data source
22-36/37/38 expand Show data source
R:22 expand Show data source
Safety Statements
26-36/37-60 expand Show data source
S:36/37/39 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
H302 expand Show data source
H302-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A 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
Purity
≥95% (GC) expand Show data source
90% expand Show data source
95% expand Show data source
95+% expand Show data source
97% expand Show data source
Grade
REAGENT expand Show data source
technical expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Impurities
≤1% naphthoic acid expand Show data source
Linear Formula
C10H7CHO expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05210576 external link
MP Biomedicals Rare Chemical collection
MP Biomedicals - 02155771 external link
Purity: 90% Balance primarily β-naphthaldehyde 1 ml = approx. 1.15 g
Sigma Aldrich - N109 external link
Packaging
2, 100, 500 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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