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Product No: CF3872

6-Chloro-3-methylpyrimidine-2,4(1H,3H)-dione, 98%

Name: 6-Chloro-3-methylpyrimidine-2,4(1H,3H)-dione
Brand: Chempure

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CAS Number

4318-56-3

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About this item

IUPAC name	6-chloro-3-methyl-1H-pyrimidine-2,4-dione
canonical smiles	CN1C(=O)C=C(NC1=O)Cl
inchi	InChI=1S/C5H5ClN2O2/c1-8-4(9)2-3(6)7-5(8)10/h2H,1H3,(H,7,10)
inchi key	SGLXGFAZAARYJY-UHFFFAOYSA-N
molecular formula	C5H5ClN2O2
synonyms	6-Chloro-3-methyluracil 4318-56-3 6-chloro-3-methylpyrimidine-2,4(1H,3H)-dione 3-Methyl-6-chlorouracil 6-chloro-3-methyl-1H-pyrimidine-2,4-dione
Compound Description	6-Chloro-3-methyluracil is a member of pyrimidines and an organohalogen compound.

Computed Properties

Molecular Weight:	160.56 g/mol
XLogP3:	0
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	0
Exact Mass:	160.0039551 g/mol
Monoisotopic Mass:	160.0039551 g/mol
Topological Polar Surface Area:	49.4 Å²
Heavy Atom Count:	10
Formal Charge:	0
Complexity:	224
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

Methimazole

Cyanuric acid

Trichloroisocyanuric acid

Alloxan

Maleic hydrazide

1,3-Dibromo-5,5-dimethylhydantoin

3,5,6-Trichloro-2-pyridinol

Clopidol

Dichloroisocyanuric acid

1,3,5-Trimethoxybenzene

1-Bromo-3-chloro-5,5-dimethyl-2,4-imidazolidinedione

6-Methyluracil

Barbituric acid

Ricinine

2,3-Dihydroxypyridine

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] 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-chloro-3-methyl-1H-pyrimidine-2,4-dione
canonical smiles	CN1C(=O)C=C(NC1=O)Cl
inchi	InChI=1S/C5H5ClN2O2/c1-8-4(9)2-3(6)7-5(8)10/h2H,1H3,(H,7,10)
inchi key	SGLXGFAZAARYJY-UHFFFAOYSA-N
molecular formula	C5H5ClN2O2
synonyms	6-Chloro-3-methyluracil 4318-56-3 6-chloro-3-methylpyrimidine-2,4(1H,3H)-dione 3-Methyl-6-chlorouracil 6-chloro-3-methyl-1H-pyrimidine-2,4-dione
Compound Description	6-Chloro-3-methyluracil is a member of pyrimidines and an organohalogen compound.

Computed Properties

Molecular Weight:	160.56 g/mol
XLogP3:	0
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	0
Exact Mass:	160.0039551 g/mol
Monoisotopic Mass:	160.0039551 g/mol
Topological Polar Surface Area:	49.4 Å²
Heavy Atom Count:	10
Formal Charge:	0
Complexity:	224
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

Methimazole

Cyanuric acid

Trichloroisocyanuric acid

Alloxan

Maleic hydrazide

1,3-Dibromo-5,5-dimethylhydantoin

3,5,6-Trichloro-2-pyridinol

Clopidol

Dichloroisocyanuric acid

1,3,5-Trimethoxybenzene

1-Bromo-3-chloro-5,5-dimethyl-2,4-imidazolidinedione

6-Methyluracil

Barbituric acid

Ricinine

2,3-Dihydroxypyridine

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Product No: CF3872

6-Chloro-3-methylpyrimidine-2,4(1H,3H)-dione, 98%

Product No: CF3872

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: CF3872

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?