1-(2-Mesitylenesulfonyl)imidazole - CAS 50257-39-1
Catalog: |
BB026979 |
Product Name: |
1-(2-Mesitylenesulfonyl)imidazole |
CAS: |
50257-39-1 |
Synonyms: |
Mesitylensulfonylimidazolid; [(2,4,6-trimethylphenyl)sulfonyl]imidazole; 1-(Mesitylsulfonyl)-1H-imidazole; 1-[(2,4,6-trimethylphenyl)sulfonyl]-1H-imidazole; Mesitylen-sulfon-imidazolid; N-Mesitylenesulfonylimidazole; 1-(mesitylenesulfonyl)-imidazole; 1-(2-Mesitylenesulfonyl)imidazole; EINECS 256-507-4; NSC240873; ACMC-209kkw |
IUPAC Name: | 1-(2,4,6-trimethylphenyl)sulfonylimidazole |
Description: | 1-(2-Mesitylenesulfonyl)imidazole (CAS# 50257-39-1) is a useful research chemical. |
Molecular Weight: | 250.32 |
Molecular Formula: | C12H14N2O2S |
Canonical SMILES: | CC1=CC(=C(C(=C1)C)S(=O)(=O)N2C=CN=C2)C |
InChI: | InChI=1S/C12H14N2O2S/c1-9-6-10(2)12(11(3)7-9)17(15,16)14-5-4-13-8-14/h4-8H,1-3H3 |
InChI Key: | XFHVQSPNDDOABS-UHFFFAOYSA-N |
Boiling Point: | 432.7±55.0 ℃ (Predicted) |
Melting Point: | 95-99 ℃ |
Purity: | 98 % (HPLC) |
Density: | 1.230 g/cm3 (Predicted) |
Appearance: | Off-white to white crystalline powder |
Storage: | RT |
LogP: | 3.12610 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2015059170-A | Resin composition | 20130918 |
JP-5915610-B2 | Resin composition | 20130918 |
KR-102238854-B1 | Resin composition | 20130918 |
US-2010094020-A1 | Polycationized phospholipid derivatives | 20080902 |
US-8143413-B2 | Polycationized phospholipid derivatives | 20080902 |
Complexity: | 351 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 250.07759887 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 250.07759887 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 60.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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