CAS 626-55-1|3-bromopyridine|3-bromopyridine|3-Bromopyridine|3-Bromopyridine|3-溴吡啶|m-Bromopyridine|Pyridin-3-yl Bromide|3-Pyridyl Bromide|NSC 3974

InChI=1S/C5H4BrN/c6-5-2-1-3-7-4-5/h1-4H

NYPYPOZNGOXYSU-UHFFFAOYSA-N

H Acceptors

H Donor

LogD (pH = 5.5)

1.5208961

LogD (pH = 7.4)

1.5242826

Log P

1.524326

Molar Refractivity

31.5239

Polarizability

12.286372

Polar Surface Area

12.89

Rotatable Bonds

Lipinski's Rule of Five

true

IUPAC Traditional name

3-Bromopyridine3-Bromopyridine3-溴吡啶m-BromopyridinePyridin-3-yl BromideNSC 39743-Pyridyl Bromide

false

是

LIGHT SENSITIVE, IRRITANT-HARMFUL, FLAMMABLE

Flammable/Harmful/Irritant/Light Sensitive/Air Sensitive/Store under Argon

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05211789

MP Biomedicals Rare Chemical collection

B80208

Packaging
5, 25, 100 g in glass bottle

B686740

Pyridine as novel substrate for regioselective oxygenation with aromatic peroxygenase from Agrocybe aegerita.

• Colby, J., et al.: Biochem. J., 165, 395 (1977)

• Damani, L., et al.: Xenobiotica, 12, 527 (1977)

• Balzarini, J., et al.: J. Antimicrob. Chemother., 55, 135 (1977)

• Undergoes lithiation with LDA at low temperatures in the 4-position: Heterocycles, 35, 151 (1993). Formation of the Grignard by Mg exchange with i-PrMgCl: Tetrahdron Lett., 40, 4339 (1999). Transmetallation of the lithiated derivative with ZnCl₂ followed by treatment with an electrophile has been described, as a route to 4-substituted 3-bromopyridines: Org. Lett., 3, 835 (2001).

Names and Identifiers

IUPAC Traditional name

3-bromopyridine

IUPAC name

3-bromopyridine

Synonyms

3-Bromopyridine3-Bromopyridine3-溴吡啶m-BromopyridinePyridin-3-yl BromideNSC 39743-Pyridyl Bromide

Registration numbers

MDL Number

MFCD00006373

PubChem CID

12286

PubChem SID

1620300232485101524892040

CAS Number

EC Number

Beilstein Number

Molecule Details

MP Biomedicals Rare Chemical collection

Sigma Aldrich

B80208

Packaging
5, 25, 100 g in glass bottle

TRC

B686740

Pyridine as novel substrate for regioselective oxygenation with aromatic peroxygenase from Agrocybe aegerita.

References

PubChem Literature

From Data Sources

• Colby, J., et al.: Biochem. J., 165, 395 (1977)

• Damani, L., et al.: Xenobiotica, 12, 527 (1977)

• Balzarini, J., et al.: J. Antimicrob. Chemother., 55, 135 (1977)

Bioactivity

PubChem BioAssay

83°C(181°F)

Melting Point

-27°C

Refractive Index

n20/D 1.571(lit.)

n20/D 1.571

1.5700

Solubility

Methanol

DMSO

Chloroform

Apperance

Clear Pale Yellow Oil

European Hazard Symbols

Irritant (Xi)

Harmful (Xn)

Harmful (X)

Safety Statements

S:20-25-26-37/39

26-36/37

Risk Statements

R:36/37/38

10-22-36/37/38

20/21/22-36/37/38

RID/ADR

UN 1993 3/PG 3

Hazard Class

6.1

Personal Protective Equipment

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

GHS Signal Word

Warning

GHS Hazard statements

H226-H302-H315-H319-H335

H311-H302-H332-H315-H319-H335-H227

Packing Group

III

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

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

GHS Precautionary statements

P261-P305+P351+P338

P280H-P305+P351+P338-P309-P310

UN Number

1993

2929

UN2810

German water hazard class

Storage Condition

Refrigerator

Empirical Formula (Hill Notation)

Molecule

ID:64284