4-Bromo-5-(methoxymethyl)-1-methyl-1H-pyrazole - CAS 1578484-60-2

Catalog:	BB050872
Product Name:	4-Bromo-5-(methoxymethyl)-1-methyl-1H-pyrazole
CAS:	1578484-60-2
Synonyms:	1H-Pyrazole, 4-bromo-5-(methoxymethyl)-1-methyl-

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	4-bromo-5-(methoxymethyl)-1-methylpyrazole
Molecular Weight:	205.05
Molecular Formula:	C6H9BrN2O
Canonical SMILES:	CN1C(=C(C=N1)Br)COC
InChI:	InChI=1S/C6H9BrN2O/c1-9-6(4-10-2)5(7)3-8-9/h3H,4H2,1-2H3
InChI Key:	DKVGWJPGRFFHAX-UHFFFAOYSA-N
Boiling Point:	245.7±25.0°C (Predicted)
Purity:	≥95%
Density:	1.53±0.1 g/cm3 (Predicted)

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Related Functional Groups

Halides

[859473-05-5]
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[932890-93-2]
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[444581-46-8]
1-Bromo-2-(1,1-difluoroethyl)benzene
[4860-03-1]
1-Chlorohexadecane
[111-85-3]
1-Chlorooctane

Pyrazoles

[890092-87-2]
(4-Acetyl-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1431965-90-0]
1-Cyclopentyl-5-methylpyrazol-3-amine hydrochloride
[1170836-25-5]
1-Cyclopentyl-5-nitro-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:	112
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	203.98983
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	203.98983
Rotatable Bond Count:	2
Topological Polar Surface Area:	27
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6