1,3-Bis(2,6-di-i-propylphenyl)-4,5-dihydroimidazolium chloride, min. 97%

Name: 1,3-Bis(2,6-di-i-propylphenyl)-4,5-dihydroimidazolium chloride
Brand: Chempure

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CAS Number

258278-25-0

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IUPAC name	1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazol-1-ium;chloride
inchi	InChI=1S/C27H39N2.ClH/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;/h9-14,17-21H,15-16H2,1-8H3;1H/q+1;/p-1
inchi key	LWPXTYZKAWSRIP-UHFFFAOYSA-M
molecular formula	C27H39ClN2
synonyms	258278-25-0 1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium chloride 1,3-Bis-(2,6-diisopropylphenyl)imidazolinium chloride MFCD07369796 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazol-1-ium;chloride

Computed Properties

Molecular Weight:	427.1 g/mol
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	1
Rotatable Bond Count:	6
Exact Mass:	426.2801769 g/mol
Monoisotopic Mass:	426.2801769 g/mol
Topological Polar Surface Area:	6.2 Å²
Heavy Atom Count:	30
Formal Charge:	0
Complexity:	467
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:	2
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (97.7%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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Product No: AT1768

1,3-Bis(2,6-di-i-propylphenyl)-4,5-dihydroimidazolium chloride, min. 97%

Product No: AT1768

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