1,3-Bis-(2,6-diisopropylphenyl)imidazolinium chloride - CAS 258278-25-0
Catalog: |
BB053996 |
Product Name: |
1,3-Bis-(2,6-diisopropylphenyl)imidazolinium chloride |
CAS: |
258278-25-0 |
Synonyms: |
1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium chloride; N,N'-(2,6-Diisopropylphenyl)dihydroimidazolium chloride; 1H-Imidazolium, 1,3-bis[2,6-bis(1-methylethyl)phenyl]-4,5-dihydro-, chloride (1:1) |
IUPAC Name: | 1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazol-1-ium;chloride |
Molecular Weight: | 427.06 |
Molecular Formula: | C27H39ClN2 |
Canonical SMILES: | CC(C)C1=C(C(=CC=C1)C(C)C)N2CC[N+](=C2)C3=C(C=CC=C3C(C)C)C(C)C.[Cl-] |
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 |
Melting Point: | 289-293°C |
Purity: | 95% |
Solubility: | Soluble in Water (Partly), Methanol |
Appearance: | White to yellow crystalline powder |
GHS Hazard Statement: | 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 467 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 426.2801769 |
Formal Charge: | 0 |
Heavy Atom Count: | 30 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 426.2801769 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 6.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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