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Product No: AQ9407

3,4,5-Tribromopyrazole, 98%

Name: 3,4,5-Tribromopyrazole
Brand: Chempure

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CAS Number

17635-44-8

Molecular Weight

304.77

Formula

C3HBr3N2

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IUPAC name	3,4,5-tribromo-1H-pyrazole
canonical smiles	C1(=C(NN=C1Br)Br)Br
inchi	InChI=1S/C3HBr3N2/c4-1-2(5)7-8-3(1)6/h(H,7,8)
inchi key	TXQKCKQJBGFUBF-UHFFFAOYSA-N
molecular formula	C3HBr3N2
synonyms	3,4,5-Tribromopyrazole 17635-44-8 3,4,5-Tribromo-1H-pyrazole 1H-Pyrazole, 3,4,5-tribromo- MFCD00040248

Computed Properties

Molecular Weight:	304.77 g/mol
XLogP3:	3
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	1
Rotatable Bond Count:	0
Exact Mass:	303.76694 g/mol
Monoisotopic Mass:	301.76899 g/mol
Topological Polar Surface Area:	28.7 Å²
Heavy Atom Count:	8
Formal Charge:	0
Complexity:	88.6
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

2,3,4-tribromo-1H-pyrrole

4-Bromo-3,5-dimethyl-1H-pyrazole

3,5-Dimethyl-4-iodopyrazole

Tetrabromothiophene

4-chloro-3,5-dimethyl-1H-pyrazole

3,4,5-Tribromopyrazole

3,3-Bis(bromomethyl)oxetane

3,4-Dibromo-1H-pyrazole

3,4,5-Tribromopyridine

3-Iodo-1H-pyrazole

2,5-Dibromothiazole

3,3-Bis(iodomethyl)oxetane

2,3,4-Tribromothiophene

1,2,3-Tribromobenzene

1,3-Dibromo-2-iodobenzene

hazard signal	Danger
hazard classes and categories	Acute Tox. 3 (84.44%) Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H301 (84.44%): Toxic if swallowed [Danger 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]

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Documentation

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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	3,4,5-tribromo-1H-pyrazole
canonical smiles	C1(=C(NN=C1Br)Br)Br
inchi	InChI=1S/C3HBr3N2/c4-1-2(5)7-8-3(1)6/h(H,7,8)
inchi key	TXQKCKQJBGFUBF-UHFFFAOYSA-N
molecular formula	C3HBr3N2
synonyms	3,4,5-Tribromopyrazole 17635-44-8 3,4,5-Tribromo-1H-pyrazole 1H-Pyrazole, 3,4,5-tribromo- MFCD00040248

Computed Properties

Molecular Weight:	304.77 g/mol
XLogP3:	3
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	1
Rotatable Bond Count:	0
Exact Mass:	303.76694 g/mol
Monoisotopic Mass:	301.76899 g/mol
Topological Polar Surface Area:	28.7 Å²
Heavy Atom Count:	8
Formal Charge:	0
Complexity:	88.6
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

2,3,4-tribromo-1H-pyrrole

4-Bromo-3,5-dimethyl-1H-pyrazole

3,5-Dimethyl-4-iodopyrazole

Tetrabromothiophene

4-chloro-3,5-dimethyl-1H-pyrazole

3,4,5-Tribromopyrazole

3,3-Bis(bromomethyl)oxetane

3,4-Dibromo-1H-pyrazole

3,4,5-Tribromopyridine

3-Iodo-1H-pyrazole

2,5-Dibromothiazole

3,3-Bis(iodomethyl)oxetane

2,3,4-Tribromothiophene

1,2,3-Tribromobenzene

1,3-Dibromo-2-iodobenzene

hazard signal	Danger
hazard classes and categories	Acute Tox. 3 (84.44%) Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H301 (84.44%): Toxic if swallowed [Danger 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]

Product No: AQ9407

3,4,5-Tribromopyrazole, 98%

Product No: AQ9407

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: AQ9407

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?