3,4,5-Tribromopyrazole - CAS 17635-44-8

Catalog:	BB013215
Product Name:	3,4,5-Tribromopyrazole
CAS:	17635-44-8
Synonyms:	3,4,5-tribromo-1H-pyrazole; 3,4,5-tribromo-1H-pyrazole

Technical Data

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Computed Properties

IUPAC Name:	3,4,5-tribromo-1H-pyrazole
Description:	3,4,5-Tribromopyrazole (CAS# 17635-44-8) is used in the preparation of 1-aryl-4-substituted piperazine CCR1 antagonists for the treatment of inflammation and immune disorders.
Molecular Weight:	304.77
Molecular Formula:	C3HBr3N2
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
Boiling Point:	381.5 °C at 760 mmHg
Density:	2.782 g/cm³
MDL:	MFCD00040248
LogP:	2.69720

Publication Number	Title	Priority Date
US-2021301175-A1	Polishing composition	20200330
WO-2021120890-A1	Pyrazolyl derivatives useful as anti-cancer agents	20191220
WO-2021076832-A1	Methods for the preparation of 5-bromo-2-(3-chloro-pyridin-2-yl)-2h-pyrazole-3-carboxylic acid	20191018
WO-2021076835-A1	Methods for the preparation of 5-bromo-2-(3chloro-pyridin-2-yl)-2h-pyrazole-3-carboxylic acid	20191018
WO-2021076839-A1	Methods for the preparation of 5-bromo-2-(3-chloro-pyridin-2-yl)-2h-pyrazole-3-carboxylic acid	20191018

PMID	Publication Date	Title	Journal
15248610	20041001	2,4,5-Tribromo-1H-imidazole in the egg masses of three muricid molluscs	Natural product research

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Related Functional Groups

Pyrazoles

[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1158353-54-8]
(4-Pyrazol-1-ylphenyl)methanamine sulfuric acid
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1082066-00-9]
1-Cyclopropyl-1H-pyrazole-4-carbaldehyde
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

GHS Hazard Statement:	H301 (86.36%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	88.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	303.76694
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	301.76899
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3