3-Bromo-2-methylbenzene-1-sulfonyl Chloride - CAS 886501-61-7
Catalog: |
BB039117 |
Product Name: |
3-Bromo-2-methylbenzene-1-sulfonyl Chloride |
CAS: |
886501-61-7 |
Synonyms: |
3-bromo-2-methylbenzenesulfonyl chloride; 3-bromo-2-methylbenzenesulfonyl chloride |
IUPAC Name: | 3-bromo-2-methylbenzenesulfonyl chloride |
Description: | 3-Bromo-2-methylbenzene-1-sulfonyl Chloride (CAS# 886501-61-7) is a useful research chemical. |
Molecular Weight: | 269.54 |
Molecular Formula: | C7H6BrClO2S |
Canonical SMILES: | CC1=C(C=CC=C1Br)S(=O)(=O)Cl |
InChI: | InChI=1S/C7H6BrClO2S/c1-5-6(8)3-2-4-7(5)12(9,10)11/h2-4H,1H3 |
InChI Key: | LJQINJOCKBNGAJ-UHFFFAOYSA-N |
Boiling Point: | 330.1 °C at 760 mmHg |
Density: | 1.7 g/cm3 |
MDL: | MFCD07782194 |
LogP: | 3.76580 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
AU-2018238138-A1 | Substituted dihydroindene-4-carboxamides and analogs thereof, and methods using same | 20170321 |
CA-3056886-A1 | Substituted dihydroindene-4-carboxamides and analogs thereof, and methods using same | 20170321 |
EP-3601216-A1 | Substituted dihydroindene-4-carboxamides and analogs thereof, and methods using same | 20170321 |
TW-201838966-A | Substituted indoline-4-carboamine and analogs thereof and methods of use thereof | 20170321 |
US-2020024226-A1 | Substituted dihydroindene-4-carboxamides and analogs thereof, and methods using same | 20170321 |
Complexity: | 247 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 267.89604 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 267.89604 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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