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583-61-9 molecular structure
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2,3-dimethylpyridine

ChemBase ID: 76844
Molecular Formular: C7H9N
Molecular Mass: 107.15306
Monoisotopic Mass: 107.07349929
SMILES and InChIs

SMILES:
n1c(c(ccc1)C)C
Canonical SMILES:
Cc1ncccc1C
InChI:
InChI=1S/C7H9N/c1-6-4-3-5-8-7(6)2/h3-5H,1-2H3
InChIKey:
HPYNZHMRTTWQTB-UHFFFAOYSA-N

Cite this record

CBID:76844 http://www.chembase.cn/molecule-76844.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3-dimethylpyridine
IUPAC Traditional name
2,3-dimethylpyridine
Synonyms
2,3-Lutidine
2,3-Dimethylpyridine
2,3-Dimethylpyridine
2,3-Lutidine
2,3-二甲吡啶
2,3-二甲基吡啶
CAS Number
583-61-9
EC Number
209-514-1
MDL Number
MFCD00009605
Beilstein Number
106418
PubChem SID
162041746
24896341
PubChem CID
11420

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 11420 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.6405495  LogD (pH = 7.4) 1.3700639 
Log P 1.400365  Molar Refractivity 33.5338 cm3
Polarizability 12.975754 Å3 Polar Surface Area 12.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
-15 °C(lit.) expand Show data source
-17°C expand Show data source
Boiling Point
160-161°C expand Show data source
162-163 °C(lit.) expand Show data source
Flash Point
122 °F expand Show data source
50 °C expand Show data source
50°C(122°F) expand Show data source
Density
0.945 g/mL at 25 °C(lit.) expand Show data source
0.948 expand Show data source
Refractive Index
1.5080 expand Show data source
n20/D 1.508(lit.) expand Show data source
Storage Warning
Harmful/Flammable expand Show data source
European Hazard Symbols
X expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
1993 expand Show data source
UN2929 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
3 expand Show data source
6.1 expand Show data source
Packing Group
3 expand Show data source
II expand Show data source
Risk Statements
10-20/21/22-36/37/38 expand Show data source
10-22-37/38-41 expand Show data source
Safety Statements
16-26-39 expand Show data source
26-36/37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS06 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H226-H302-H315-H318-H335 expand Show data source
H331-H302-H312-H315-H319-H335-H226 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338 expand Show data source
P280H-P305+P351+P338-P304+P340-P310 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
RID/ADR
UN 1993 3/PG 3 expand Show data source
Purity
99% expand Show data source
Empirical Formula (Hill Notation)
C7H9N expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - L3501 external link
Packaging
100 mL in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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