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Product No: BV6452

6-Chloropyrazine-2-carboxylic acid, >95%

Name: 6-Chloropyrazine-2-carboxylic acid
Brand: Chempure

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CAS Number

23688-89-3

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About this item

IUPAC name	6-chloropyrazine-2-carboxylic acid
canonical smiles	C1=C(N=C(C=N1)Cl)C(=O)O
inchi	InChI=1S/C5H3ClN2O2/c6-4-2-7-1-3(8-4)5(9)10/h1-2H,(H,9,10)
inchi key	KGGYMBKTQCLOTE-UHFFFAOYSA-N
molecular formula	C5H3ClN2O2
synonyms	6-Chloropyrazine-2-carboxylic acid 23688-89-3 6-Chloro-pyrazine-2-carboxylic acid 6-CHLORO-2-PYRAZINECARBOXYLIC ACID 2-PYRAZINECARBOXYLIC ACID, 6-CHLORO-

Computed Properties

Molecular Weight:	158.54 g/mol
XLogP3:	0.9
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	1
Exact Mass:	157.9883050 g/mol
Monoisotopic Mass:	157.9883050 g/mol
Topological Polar Surface Area:	63.1 Å²
Heavy Atom Count:	10
Formal Charge:	0
Complexity:	142
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

Benzoic Acid

Salicylic Acid

Nicotinic acid

Picolinic acid

Trigonelline

Dicamba

3-Hydroxybenzoic acid

Clopyralid

6-Chloronicotinic acid

2,4-Dihydroxybenzoic acid

Pyrazine-2-carboxylic acid

2-Chlorobenzoic acid

2-Furoic acid

o-Toluic Acid

Cyclohexanecarboxylic acid

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (100%) Acute Tox. 4 (50%) Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) 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 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (50%): 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 (50%): 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

Lot Number

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CAS #

*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	6-chloropyrazine-2-carboxylic acid
canonical smiles	C1=C(N=C(C=N1)Cl)C(=O)O
inchi	InChI=1S/C5H3ClN2O2/c6-4-2-7-1-3(8-4)5(9)10/h1-2H,(H,9,10)
inchi key	KGGYMBKTQCLOTE-UHFFFAOYSA-N
molecular formula	C5H3ClN2O2
synonyms	6-Chloropyrazine-2-carboxylic acid 23688-89-3 6-Chloro-pyrazine-2-carboxylic acid 6-CHLORO-2-PYRAZINECARBOXYLIC ACID 2-PYRAZINECARBOXYLIC ACID, 6-CHLORO-

Computed Properties

Molecular Weight:	158.54 g/mol
XLogP3:	0.9
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	1
Exact Mass:	157.9883050 g/mol
Monoisotopic Mass:	157.9883050 g/mol
Topological Polar Surface Area:	63.1 Å²
Heavy Atom Count:	10
Formal Charge:	0
Complexity:	142
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

Benzoic Acid

Salicylic Acid

Nicotinic acid

Picolinic acid

Trigonelline

Dicamba

3-Hydroxybenzoic acid

Clopyralid

6-Chloronicotinic acid

2,4-Dihydroxybenzoic acid

Pyrazine-2-carboxylic acid

2-Chlorobenzoic acid

2-Furoic acid

o-Toluic Acid

Cyclohexanecarboxylic acid

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (100%) Acute Tox. 4 (50%) Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) 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 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (50%): 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 (50%): 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: BV6452

6-Chloropyrazine-2-carboxylic acid, >95%

Product No: BV6452

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: BV6452

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?