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Product No: CG3954

2-Bromo-4-picoline, 98%

Name: 2-Bromo-4-picoline
Brand: Chempure

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CAS Number

4926-28-7

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About this item

IUPAC name	2-bromo-4-methylpyridine
canonical smiles	CC1=CC(=NC=C1)Br
inchi	InChI=1S/C6H6BrN/c1-5-2-3-8-6(7)4-5/h2-4H,1H3
inchi key	LSZMVESSGLHDJE-UHFFFAOYSA-N
molecular formula	C6H6BrN
synonyms	2-Bromo-4-methylpyridine 4926-28-7 2-Bromo-4-picoline 2-Bromo-4-methyl-pyridine 2-Bromo-4-methyl pyridine

Computed Properties

Molecular Weight:	172.02 g/mol
XLogP3:	1.9
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	1
Rotatable Bond Count:	0
Exact Mass:	170.96836 g/mol
Monoisotopic Mass:	170.96836 g/mol
Topological Polar Surface Area:	12.9 Å²
Heavy Atom Count:	8
Formal Charge:	0
Complexity:	74.9
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Bromobenzene

beta-PICOLINE

3-Carene

Ethyl acrylate

Picoline, gamma

Cumene

p-CYMENE

2,5-Dimethylfuran

4-Vinylpyridine

gamma-Terpinene

alpha-Terpinene

N-Nitrosomorpholine

2,6-Dimethylpyridine

tert-Butylbenzene

2-Methylfuran

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (12.77%) Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) Acute Tox. 4 (14.89%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (12.77%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (12.77%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (14.89%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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About this item

Documentation

Certificate of Analysis

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	2-bromo-4-methylpyridine
canonical smiles	CC1=CC(=NC=C1)Br
inchi	InChI=1S/C6H6BrN/c1-5-2-3-8-6(7)4-5/h2-4H,1H3
inchi key	LSZMVESSGLHDJE-UHFFFAOYSA-N
molecular formula	C6H6BrN
synonyms	2-Bromo-4-methylpyridine 4926-28-7 2-Bromo-4-picoline 2-Bromo-4-methyl-pyridine 2-Bromo-4-methyl pyridine

Computed Properties

Molecular Weight:	172.02 g/mol
XLogP3:	1.9
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	1
Rotatable Bond Count:	0
Exact Mass:	170.96836 g/mol
Monoisotopic Mass:	170.96836 g/mol
Topological Polar Surface Area:	12.9 Å²
Heavy Atom Count:	8
Formal Charge:	0
Complexity:	74.9
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Bromobenzene

beta-PICOLINE

3-Carene

Ethyl acrylate

Picoline, gamma

Cumene

p-CYMENE

2,5-Dimethylfuran

4-Vinylpyridine

gamma-Terpinene

alpha-Terpinene

N-Nitrosomorpholine

2,6-Dimethylpyridine

tert-Butylbenzene

2-Methylfuran

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (12.77%) Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) Acute Tox. 4 (14.89%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (12.77%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (12.77%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (14.89%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Product No: CG3954

2-Bromo-4-picoline, 98%

Product No: CG3954

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: CG3954

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?