4-Methylbenzylsulfonyl chloride - CAS 51419-59-1
Catalog: |
BB027431 |
Product Name: |
4-Methylbenzylsulfonyl chloride |
CAS: |
51419-59-1 |
Synonyms: |
(4-methylphenyl)methanesulfonyl chloride |
IUPAC Name: | (4-methylphenyl)methanesulfonyl chloride |
Description: | 4-Methylbenzylsulfonyl chloride (CAS# 51419-59-1) is a useful reactant for the synthesis of (R)-1-alkyl-substituted tetrahydro-ss-carbolines. |
Molecular Weight: | 204.67 |
Molecular Formula: | C8H9ClO2S |
Canonical SMILES: | CC1=CC=C(C=C1)CS(=O)(=O)Cl |
InChI: | InChI=1S/C8H9ClO2S/c1-7-2-4-8(5-3-7)6-12(9,10)11/h2-5H,6H2,1H3 |
InChI Key: | JALKUHLLMWYIAT-UHFFFAOYSA-N |
Boiling Point: | 305.2 °C at 760 mmHg |
Melting Point: | 80-85 °C |
Purity: | 95 % |
Density: | 1.325 g/cm3 |
Appearance: | White to cream crystalline powder |
MDL: | MFCD01631931 |
LogP: | 3.14440 |
GHS Hazard Statement: | H302 (88.37%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501 |
Signal Word: | Danger |
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Complexity: | 222 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.0011784 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.0011784 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 42.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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