7-nitroso-3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine, 95%

Name: 7-nitroso-3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
Brand: Chempure
Rating: 4 (1 reviews)

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CAS Number

1481965-39-2

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IUPAC name	7-nitroso-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
inchi	InChI=1S/C6H6F3N5O/c7-6(8,9)5-11-10-4-3-13(12-15)1-2-14(4)5/h1-3H2
inchi key	HPLUAAVIJHAQQZ-UHFFFAOYSA-N
molecular formula	C6H6F3N5O
synonyms	Nitroso-STG-19 2892260-32-9 7-Nitroso-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine 7-nitroso-3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine 1481965-39-2

Computed Properties

Molecular Weight:	221.14 g/mol
XLogP3:	-0.1
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	8
Rotatable Bond Count:	0
Exact Mass:	221.05244432 g/mol
Monoisotopic Mass:	221.05244432 g/mol
Topological Polar Surface Area:	63.4 Å²
Heavy Atom Count:	15
Formal Charge:	0
Complexity:	260
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

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (50%) Skin Irrit. 2 (50%) Eye Irrit. 2 (50%) STOT SE 3 (50%) Muta. 2 (50%) Carc. 2 (50%)
precautionary statement codes	P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H341 (50%): Suspected of causing genetic defects [Warning Germ cell mutagenicity] H351 (50%): Suspected of causing cancer [Warning Carcinogenicity]

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*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	7-nitroso-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
inchi	InChI=1S/C6H6F3N5O/c7-6(8,9)5-11-10-4-3-13(12-15)1-2-14(4)5/h1-3H2
inchi key	HPLUAAVIJHAQQZ-UHFFFAOYSA-N
molecular formula	C6H6F3N5O
synonyms	Nitroso-STG-19 2892260-32-9 7-Nitroso-3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine 7-nitroso-3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine 1481965-39-2

Computed Properties

Molecular Weight:	221.14 g/mol
XLogP3:	-0.1
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	8
Rotatable Bond Count:	0
Exact Mass:	221.05244432 g/mol
Monoisotopic Mass:	221.05244432 g/mol
Topological Polar Surface Area:	63.4 Å²
Heavy Atom Count:	15
Formal Charge:	0
Complexity:	260
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

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (50%) Skin Irrit. 2 (50%) Eye Irrit. 2 (50%) STOT SE 3 (50%) Muta. 2 (50%) Carc. 2 (50%)
precautionary statement codes	P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H341 (50%): Suspected of causing genetic defects [Warning Germ cell mutagenicity] H351 (50%): Suspected of causing cancer [Warning Carcinogenicity]

Product No: BK0532

7-nitroso-3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine, 95%

Product No: BK0532

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

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Product No: BK0532

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?