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2586-62-1 molecular structure
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1-bromo-2-methylnaphthalene

ChemBase ID: 150719
Molecular Formular: C11H9Br
Molecular Mass: 221.09316
Monoisotopic Mass: 219.98876229
SMILES and InChIs

SMILES:
Cc1ccc2ccccc2c1Br
Canonical SMILES:
Cc1ccc2c(c1Br)cccc2
InChI:
InChI=1S/C11H9Br/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h2-7H,1H3
InChIKey:
CMIMBQIBIZZZHQ-UHFFFAOYSA-N

Cite this record

CBID:150719 http://www.chembase.cn/molecule-150719.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-bromo-2-methylnaphthalene
IUPAC Traditional name
1-bromo-2-methylnaphthalene
Synonyms
1-bromo-2-methylnaphthalene
1-Bromo-2-methylnaphthalene
1-溴-2-甲基萘
CAS Number
2586-62-1
EC Number
219-966-1
MDL Number
MFCD00003871
Beilstein Number
2042531
PubChem SID
24847598
24845593
162244880
PubChem CID
75754

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.2448964  LogD (pH = 7.4) 4.2448964 
Log P 4.2448964  Molar Refractivity 55.1722 cm3
Polarizability 22.241459 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)
Boiling Point
295-296°C expand Show data source
296 °C(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
1.418 g/mL at 25 °C(lit.) expand Show data source
1.428 expand Show data source
Refractive Index
1.6490 expand Show data source
n20/D 1.648 expand Show data source
n20/D 1.648(lit.) expand Show data source
Hydrophobicity(logP)
4.678 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
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
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
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
≥95.0% (GC) expand Show data source
90% expand Show data source
95% expand Show data source
95+% expand Show data source
tech. 85% expand Show data source
Grade
purum expand Show data source
technical grade expand Show data source
Linear Formula
CH3C10H6Br expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 124109 external link
Packaging
25, 100 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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