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18368-63-3 molecular structure
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2-chloro-6-methylpyridine

ChemBase ID: 10428
Molecular Formular: C6H6ClN
Molecular Mass: 127.57154
Monoisotopic Mass: 127.01887688
SMILES and InChIs

SMILES:
c1c(nc(cc1)Cl)C
Canonical SMILES:
Cc1cccc(n1)Cl
InChI:
InChI=1S/C6H6ClN/c1-5-3-2-4-6(7)8-5/h2-4H,1H3
InChIKey:
GXZDYRYYNXYPMQ-UHFFFAOYSA-N

Cite this record

CBID:10428 http://www.chembase.cn/molecule-10428.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-6-methylpyridine
IUPAC Traditional name
6-chloro-2-picoline
Synonyms
2-Chloro-6-Methyl Pyridine
6-Chloro-2-picoline
2-Chloro-6-methylpyridine
2-Chloro-6-methylpyridine
6-Chloro-2-picoline
6-氯-2-皮考啉
2-氯-6-甲基吡啶
CAS Number
18368-63-3
EC Number
242-241-6
MDL Number
MFCD00006245
Beilstein Number
107187
PubChem SID
160973735
24847286
PubChem CID
87601

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.7110637  LogD (pH = 7.4) 1.7111641 
Log P 1.7111654  Molar Refractivity 34.3587 cm3
Polarizability 13.123262 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)
Boiling Point
64-68 °C/10 mmHg(lit.) expand Show data source
64-68°C/10mm expand Show data source
64-68°C/10mm expand Show data source
Flash Point
165.2 °F expand Show data source
73°C(163°F) expand Show data source
74 °C expand Show data source
Density
1.167 expand Show data source
1.167 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1,5265 expand Show data source
1.5265 expand Show data source
n20/D 1.527(lit.) expand Show data source
Hydrophobicity(logP)
1.941 expand Show data source
Storage Warning
Irritant expand Show data source
IRRITANT, IRRITANT-HARMFUL expand Show data source
European Hazard Symbols
X expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
UN2810 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
Hazard Class
6.1 expand Show data source
Packing Group
III expand Show data source
Risk Statements
20/21/22-36/37/38 expand Show data source
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
9-23-26-36/37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
H331-H302-H312-H315-H319-H335-H227 expand Show data source
GHS Precautionary statements
P210-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
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% expand Show data source
97% expand Show data source
98% expand Show data source
99% expand Show data source
Empirical Formula (Hill Notation)
C6H6ClN expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 116335 external link
Packaging
5, 25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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