5-Amino-2-(trifluoromethyl)pyrimidine - CAS 73418-87-8

Catalog:	BB046710
Product Name:	5-Amino-2-(trifluoromethyl)pyrimidine
CAS:	73418-87-8
Synonyms:	2-(trifluoromethyl)-5-pyrimidinamine

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	2-(trifluoromethyl)pyrimidin-5-amine
Description:	5-Amino-2-(trifluoromethyl)pyrimidine (CAS# 73418-87-8 ) is a useful research chemical.
Molecular Weight:	163.10
Molecular Formula:	C5H4F3N3
Canonical SMILES:	C1=C(C=NC(=N1)C(F)(F)F)N
InChI:	InChI=1S/C5H4F3N3/c6-5(7,8)4-10-1-3(9)2-11-4/h1-2H,9H2
InChI Key:	LOOGTXVQDBMCOL-UHFFFAOYSA-N
Boiling Point:	155.3±40.0 °C (Predicted)
Purity:	98 %
Density:	1.460±0.06 g/cm³ (Predicted)

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Related Functional Groups

Amines and Anilines

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1-Cyclopentyl-5-methylpyrazol-3-amine hydrochloride
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Fluorinated Building Blocks

[1866059-82-6]
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[2367-82-0]
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[479552-94-8]
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[927800-47-3]
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[451-46-7]
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[1160246-50-3]
2-((4-(P-Tolyl)-6-(trifluoromethyl)pyrimidin-2-yl)oxy)ethanamine
[67490-21-5]
2,4,6-Tri-tert-butylpyrimidine

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	127
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	163.03573163
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	163.03573163
Rotatable Bond Count:	0
Topological Polar Surface Area:	51.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4