2-(4-Bromo-1H-pyrazol-1-yl)acetonitrile - CAS 925224-08-4

Catalog:	BB049244
Product Name:	2-(4-Bromo-1H-pyrazol-1-yl)acetonitrile
CAS:	925224-08-4
Synonyms:	(4-bromo-1H-pyrazol-1-yl)acetonitrile; 2-(4-bromopyrazolyl)ethanenitrile

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	2-(4-bromopyrazol-1-yl)acetonitrile
Description:	2-(4-Bromo-1H-pyrazol-1-yl)acetonitrile (CAS# 925224-08-4 ) is a useful research chemical.
Molecular Weight:	186.01
Molecular Formula:	C5H4BrN3
Canonical SMILES:	C1=C(C=NN1CC#N)Br
InChI:	InChI=1S/C5H4BrN3/c6-5-3-8-9(4-5)2-1-7/h3-4H,2H2
InChI Key:	MIKIWDXOQIASTM-UHFFFAOYSA-N
Boiling Point:	306.1±22.0 °C at 760 mmHg
Purity:	97 %
Density:	1.70±0.1 g/cm³

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Related Functional Groups

Halides

[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[444581-46-8]
1-Bromo-2-(1,1-difluoroethyl)benzene
[111-85-3]
1-Chlorooctane

Nitrogen Compounds

[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[55877-31-1]
1-Benzofuran-3-carbonitrile
[13021-14-2]
2,4,6-Trimethyl-N-methylaniline
[1354706-05-0]
3-Bromo-1-ethyl-5-methyl-1H-pyrazole

Pyrazoles

[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1250876-38-0]
1-Cyclopentyl-1H-pyrazole-3,5-diamine
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole

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:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	184.95886
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	184.95886
Rotatable Bond Count:	1
Topological Polar Surface Area:	41.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8