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Product No: CO1655

5-bromo-2-(trifluoromethyl)pyrimidine, 95%

Name: 5-bromo-2-(trifluoromethyl)pyrimidine
Brand: Chempure

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CAS Number

799557-86-1

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About this item

IUPAC name	5-bromo-2-(trifluoromethyl)pyrimidine
canonical smiles	C1=C(C=NC(=N1)C(F)(F)F)Br
inchi	InChI=1S/C5H2BrF3N2/c6-3-1-10-4(11-2-3)5(7,8)9/h1-2H
inchi key	GIFDWXWNFKZVEI-UHFFFAOYSA-N
molecular formula	C5H2BrF3N2
synonyms	5-bromo-2-(trifluoromethyl)pyrimidine 799557-86-1 5-Bromo-2-(trifluoromethyl)-pyrimidine 5-Bromo-2-trifluoromethylpyrimidine Pyrimidine, 5-bromo-2-(trifluoromethyl)-

Computed Properties

Molecular Weight:	226.98 g/mol
XLogP3:	1.8
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	5
Rotatable Bond Count:	0
Exact Mass:	225.93535 g/mol
Monoisotopic Mass:	225.93535 g/mol
Topological Polar Surface Area:	25.8 Å²
Heavy Atom Count:	11
Formal Charge:	0
Complexity:	130
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

Furan, 2-ethenyltetrahydro-2-methyl-5-(1-methylethenyl)-

2,4,5,6-Tetrachloropyrimidine

2-Ethyl-4-methylthiazole

5-Bromopyrimidine

4-tert-Butylbenzoyl chloride

4,6-Dichloro-2-(methylthio)pyrimidine

2-Bromopyrimidine

2-Chloropyrimidine

5-Chloro-2-methoxypyrimidine

4-Bromobenzotrifluoride

2-Methylaminopyrimidine

5-Chloropyrimidine-2-carbonitrile

2,5-Dichloropyrimidine

2-Cyanopyrimidine

2-Chloro-5-methylpyrimidine

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (66.67%) Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%) Skin Corr. 1B (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 (66.67%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (66.67%): 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 (66.67%): 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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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	5-bromo-2-(trifluoromethyl)pyrimidine
canonical smiles	C1=C(C=NC(=N1)C(F)(F)F)Br
inchi	InChI=1S/C5H2BrF3N2/c6-3-1-10-4(11-2-3)5(7,8)9/h1-2H
inchi key	GIFDWXWNFKZVEI-UHFFFAOYSA-N
molecular formula	C5H2BrF3N2
synonyms	5-bromo-2-(trifluoromethyl)pyrimidine 799557-86-1 5-Bromo-2-(trifluoromethyl)-pyrimidine 5-Bromo-2-trifluoromethylpyrimidine Pyrimidine, 5-bromo-2-(trifluoromethyl)-

Computed Properties

Molecular Weight:	226.98 g/mol
XLogP3:	1.8
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	5
Rotatable Bond Count:	0
Exact Mass:	225.93535 g/mol
Monoisotopic Mass:	225.93535 g/mol
Topological Polar Surface Area:	25.8 Å²
Heavy Atom Count:	11
Formal Charge:	0
Complexity:	130
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

Furan, 2-ethenyltetrahydro-2-methyl-5-(1-methylethenyl)-

2,4,5,6-Tetrachloropyrimidine

2-Ethyl-4-methylthiazole

5-Bromopyrimidine

4-tert-Butylbenzoyl chloride

4,6-Dichloro-2-(methylthio)pyrimidine

2-Bromopyrimidine

2-Chloropyrimidine

5-Chloro-2-methoxypyrimidine

4-Bromobenzotrifluoride

2-Methylaminopyrimidine

5-Chloropyrimidine-2-carbonitrile

2,5-Dichloropyrimidine

2-Cyanopyrimidine

2-Chloro-5-methylpyrimidine

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (66.67%) Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%) Skin Corr. 1B (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 (66.67%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (66.67%): 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 (66.67%): 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: CO1655

5-bromo-2-(trifluoromethyl)pyrimidine, 95%

Product No: CO1655

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: CO1655

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?