(O-METHANESULFONYL)-4-BROMOPHENOL - CAS 68574-35-6
Catalog: |
BB043807 |
Product Name: |
(O-METHANESULFONYL)-4-BROMOPHENOL |
CAS: |
68574-35-6 |
Synonyms: |
4-Bromophenyl methanesulfonate; SCHEMBL4609033; Phenol, 4-bromo-, 1-methanesulfonate |
IUPAC Name: | (4-bromophenyl) methanesulfonate |
Description: | (O-METHANESULFONYL)-4-BROMOPHENOL (CAS# 68574-35-6 ) is a useful research chemical. |
Molecular Weight: | 251.10 |
Molecular Formula: | C7H7BrO3S |
Canonical SMILES: | CS(=O)(=O)OC1=CC=C(C=C1)Br |
InChI: | InChI=1S/C7H7BrO3S/c1-12(9,10)11-7-4-2-6(8)3-5-7/h2-5H,1H3 |
InChI Key: | PJWZKEHXEQWESI-UHFFFAOYSA-N |
Purity: | 95 % |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 224 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 249.92993 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 249.92993 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 51.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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