6-Bromo-2-methylpyrazolo[1,5-a]pyrimidine - CAS 916256-65-0

Catalog:	BB052133
Product Name:	6-Bromo-2-methylpyrazolo[1,5-a]pyrimidine
CAS:	916256-65-0
Synonyms:	Pyrazolo[1,5-a]pyrimidine, 6-bromo-2-methyl-

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	6-bromo-2-methylpyrazolo[1,5-a]pyrimidine
Molecular Weight:	212.05
Molecular Formula:	C7H6BrN3
Canonical SMILES:	CC1=NN2C=C(C=NC2=C1)Br
InChI:	InChI=1S/C7H6BrN3/c1-5-2-7-9-3-6(8)4-11(7)10-5/h2-4H,1H3
InChI Key:	JUWPPXBKRXAJMY-UHFFFAOYSA-N
Melting Point:	137-138°C

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Related Functional Groups

Halides

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1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[4860-03-1]
1-Chlorohexadecane
[199114-62-0]
2-(Chloromethyl)-3-methylquinazolin-4(3H)-one
[452-76-6]
2,4-Difluorotoluene

Other Pyrimidines

[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine
[2696462-69-6]
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
[832739-73-8]
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[927800-47-3]
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[1632145-37-9]
3-Methyl-3-(perfluoropyridin-4-yl)-1,5-dioxaspiro[5.5]undecane-2,4-dione
[451-46-7]
Ethyl 4-fluorobenzoate

GHS Hazard Statement:	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]
Precautionary Statement:	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
Signal Word:	Warning

Complexity:	153
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	210.97451
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	210.97451
Rotatable Bond Count:	0
Topological Polar Surface Area:	30.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4