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626-55-1

626-55-1 Structure

626-55-1 Structure
IdentificationMore
[Name]

3-Pyridyl bromide
[CAS]

626-55-1
[Synonyms]

3-BROMOPYRIDINE
3-pyridyl bromide
5-BROMO PYRIDINE
AURORA KA-875
TIMTEC-BB SBB003998
3-bromo-pyridin
3-Bromopyridine 5-Bromo Pyridine
3-Bromopyridine, 98+%
Pyridine, 3-bromo-
3-BROMOPYRIDINE 99+%
3-Bromopyridine (stabilized with Copper chip)
[EINECS(EC#)]

210-952-0
[Molecular Formula]

C5H4BrN
[MDL Number]

MFCD00006373
[Molecular Weight]

158
[MOL File]

626-55-1.mol
Chemical PropertiesBack Directory
[Appearance]

CLEAR COLOURLESS TO YELLOW LIQUID
[Melting point ]

-27°C
[Boiling point ]

173 °C (lit.)
[density ]

1.64 g/mL at 25 °C(lit.)
[vapor pressure ]

1.64hPa at 25℃
[refractive index ]

n20/D 1.571(lit.)
[Fp ]

125 °F
[storage temp. ]

Flammables area
[solubility ]

31g/l
[form ]

Liquid
[pka]

2.84(at 25℃)
[color ]

Clear colorless to yellow or slightly brown
[Specific Gravity]

1.617
[Water Solubility ]

Soluble in water (31 g/L at 20°C).
[Detection Methods]

GC,HPLC,NMR
[BRN ]

105880
[Henry's Law Constant]

8.3×10-1 mol/(m3Pa) at 25℃, Ebert et al. (2023)
[Dielectric constant]

9.8499999999999996
[InChI]

1S/C5H4BrN/c6-5-2-1-3-7-4-5/h1-4H
[InChIKey]

NYPYPOZNGOXYSU-UHFFFAOYSA-N
[SMILES]

Brc1cccnc1
[LogP]

1.694
[CAS DataBase Reference]

626-55-1(CAS DataBase Reference)
[NIST Chemistry Reference]

Pyridine, 3-bromo-(626-55-1)
[Storage Precautions]

Light sensitive
[EPA Substance Registry System]

626-55-1(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
[Signal word ]

Warning
[Hazard statements ]

H226-H302-H315-H319-H335
[Precautionary statements ]

P210-P301+P312+P330-P302+P352-P305+P351+P338
[Hazard Codes ]

Xn,T,F,Xi
[Risk Statements ]

R10:Flammable.
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S38:In case of insufficient ventilation, wear suitable respiratory equipment .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S16:Keep away from sources of ignition-No smoking .
[RIDADR ]

UN 1993 3/PG 3
[WGK Germany ]

3
[F ]

8
[Hazard Note ]

Toxic/Flammable/Irritant
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29333999
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

3,4-Dibromopyridine-->3-Pentanone-->3,5-Dibromopyridine
[Preparation Products]

3-Pyridinecarboxaldehyde-->3-Phenylpiperidine-->3-(3-Pyridinyl)benzoic acid-->3-Pyridinepropionic acid-->3-Pyridylboronic acid-->Ethyl 3-(3-pyridyl)acrylate-->3-Pyridineacrylic acid-->3-Bromo-4-formylpyridine-->5H-Pyrido[3,4-b]carbazole-5,11(10H)-dione-->1533432-50-6-->4-Bromo-3-methylpyridine-->3-Trifluoromethylpyridine-->3-Bromo-2-fluoropyridine
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-Pyridyl bromide(626-55-1).msds
Hazard InformationBack Directory
[Chemical Properties]

CLEAR COLOURLESS TO YELLOW LIQUID
[Uses]

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

ChEBI: A monobromopyridine in which the bromo substituent is located at position 3.
[Synthesis Reference(s)]

Synthesis, p. 293, 1974 DOI: 10.1055/s-1974-23300
[Synthesis]

A method for synthesizing 3-bromopyridine, comprising the steps of:

Add 60 g of pyridine and 100 mL of water to a 500 mL three-necked flask, add 40% HBr (160 g, temperature control of 20-30 ℃ during the process of addition) dropwise with stirri

Spectrum DetailBack Directory
[Spectrum Detail]

3-Pyridyl bromide(626-55-1)MS
3-Pyridyl bromide(626-55-1)1HNMR
3-Pyridyl bromide(626-55-1)13CNMR
3-Pyridyl bromide(626-55-1)IR1
3-Pyridyl bromide(626-55-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Bromopyridine, 99%(626-55-1)
[Alfa Aesar]

3-Bromopyridine, 98+%(626-55-1)
[Sigma Aldrich]

626-55-1(sigmaaldrich)
[TCI AMERICA]

3-Bromopyridine  (stabilized with Copper chip),>98.0%(GC)(626-55-1)
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