1-Isopropyl-5-methyl-1H-pyrazole-4-sulfonyl chloride - CAS 1006495-98-2
Catalog: |
BB048401 |
Product Name: |
1-Isopropyl-5-methyl-1H-pyrazole-4-sulfonyl chloride |
CAS: |
1006495-98-2 |
Synonyms: |
5-Methyl-1-(1-methylethyl)-1H-pyrazole-4-sulfonyl chloride; 1-Isopropyl-5-methyl-pyrazole-4-sulfonyl chloride; 5-methyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl chloride; chloro[5-methyl-1-(methylethyl)pyrazol-4-yl]sulfone |
IUPAC Name: | 5-methyl-1-propan-2-ylpyrazole-4-sulfonyl chloride |
Description: | 1-Isopropyl-5-methyl-1H-pyrazole-4-sulfonyl chloride (CAS# 1006495-98-2 ) is a useful research chemical. |
Molecular Weight: | 222.69 |
Molecular Formula: | C7H11ClN2O2S |
Canonical SMILES: | CC1=C(C=NN1C(C)C)S(=O)(=O)Cl |
InChI: | InChI=1S/C7H11ClN2O2S/c1-5(2)10-6(3)7(4-9-10)13(8,11)12/h4-5H,1-3H3 |
InChI Key: | YFLLOAAKOQLXAO-UHFFFAOYSA-N |
Boiling Point: | 312.5±30.0 ℃ at 760 mmHg |
Purity: | ≥ 95 % |
Density: | 1.4±0.1 g/cm3 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 |
Signal Word: | Danger |
Complexity: | 273 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.0229765 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.0229765 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 60.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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