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90-14-2 molecular structure
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1-iodonaphthalene

ChemBase ID: 109767
Molecular Formular: C10H7I
Molecular Mass: 254.06705
Monoisotopic Mass: 253.95924822
SMILES and InChIs

SMILES:
Ic1cccc2c1cccc2
Canonical SMILES:
Ic1cccc2c1cccc2
InChI:
InChI=1S/C10H7I/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKey:
NHPPIJMARIVBGU-UHFFFAOYSA-N

Cite this record

CBID:109767 http://www.chembase.cn/molecule-109767.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-iodonaphthalene
IUPAC Traditional name
1-iodonaphthalene
Synonyms
α-IODONAPHTHALENE
1-Naphthyl iodide
1-Iodonaphthalene
1-Iodonaphthalene
1-碘代萘
1-碘萘
CAS Number
90-14-2
EC Number
201-968-9
MDL Number
MFCD00003876
Beilstein Number
1906415
PubChem SID
162089322
24854293
24880969
PubChem CID
7004

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.8916671  LogD (pH = 7.4) 3.8916671 
Log P 3.8916671  Molar Refractivity 55.8707 cm3
Polarizability 22.764425 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)
Apperance
clear very deep brown-yellow liquid (clear) expand Show data source
Melting Point
4°C expand Show data source
Boiling Point
161-162°C/15mm expand Show data source
163-165 °C/15 mmHg(lit.) expand Show data source
Flash Point
>110°C(230°F) expand Show data source
113 °C expand Show data source
235.4 °F expand Show data source
Density
1.738 expand Show data source
1.74 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.7010 expand Show data source
n20/D 1.701(lit.) expand Show data source
Storage Warning
Light Sensitive 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
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-37 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-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A 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
≥96.0% (GC) 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
Empirical Formula (Hill Notation)
C10H7I expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05212508 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 238139 external link
Packaging
10, 50 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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