1,4-Dimethyl-1H-imidazole - CAS 6338-45-0

Catalog:	BB053434
Product Name:	1,4-Dimethyl-1H-imidazole
CAS:	6338-45-0
Synonyms:	1H-Imidazole, 1,4-dimethyl-

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	1,4-dimethylimidazole
Molecular Weight:	96.13
Molecular Formula:	C5H8N2
Canonical SMILES:	CC1=CN(C=N1)C
InChI:	InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h3-4H,1-2H3
InChI Key:	BLHTXORQJNCSII-UHFFFAOYSA-N
Boiling Point:	216.7°C at 760 mmHg
Density:	0.98 g/cm3

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Related Functional Groups

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Nitrogen Compounds

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[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	63.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	96.06874826399999
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	96.06874826399999
Rotatable Bond Count:	0
Topological Polar Surface Area:	17.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4