CAS 13473-01-3|5-chloro-2-methoxypyridine|5-chloro-2-methoxypyridine|5-Chloro-2-methoxypyridine|5-Chloro-2-methoxypyridine|5-氯-2-甲氧基吡啶

Molecular Formula

C₆H₆ClNO

Molecular Mass

143.57094

Exact Mass

143.0137915

InChI

InChI=1S/C6H6ClNO/c1-9-6-3-2-5(7)4-8-6/h2-4H,1H3

InChIKey

NPYYXUYLIHZYOU-UHFFFAOYSA-N

Canonic Smiles

COc1ccc(cn1)Cl

Isomeric Smiles

n1c(ccc(c1)Cl)OC

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.7963923

LogD (pH = 7.4)

1.7964041

Log P

1.7964044

Molar Refractivity

35.4826

Polarizability

13.857077

Polar Surface Area

22.12

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

4738276

IUPAC name

5-chloro-2-methoxypyridine

IUPAC Traditional name

5-chloro-2-methoxypyridine

Synonyms

5-Chloro-2-methoxypyridine5-Chloro-2-methoxypyridine5-氯-2-甲氧基吡啶

MDL Number

MFCD06254388

CAS Number

13473-01-3

PubChem SID

24883237162074797

GHS Pictograms

Flammable gases, category 1

Flammable aerosols, categories 1,2

Flammable liquids, categories 1,2,3

Self-reactive substances and mixtures, Types B,C,D,E,F

Pyrophoric liquids, category 1

Pyrophoric solids, category 1

Self-heating substances and mixtures

Substances and mixtures, which in contact with water, emit flammable gases, categories 1,2,3

Organic peroxides, Types B,C,D,E,F

Corrosive to metals, category 1

Skin corrosion, categories 1A,1B,1C

Serious eye damage, category 1

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Acute toxicity (oral, dermal, inhalation), categories 1,2,3

UN 1993 3/PG 3

Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

26-39

23-26-36/39-60

1993

UN1993

H226-H302-H318

H301-H318-H226

P280-P305+P351+P338

P210-P301+P310-P303+P361+P353-P305+P351+P338-P405-P501A

Physical Property

Product Information

C6H6ClNO

97%

95%

98%

No Data Available

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No Data Available

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Sigma Aldrich

642967

Packaging
1, 10 g in glass bottle
Application
Reactant for:
• Preparation of biaryls via palladium-catalyzed Hiyama cross-coupling with aryltrifluorosilanes1
• Suzuki-Miyaura cross-coupling reactions2,3,4

No Data Available

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