3-(Bromomethyl)-N,N-dimethylbenzenesulfonamide - CAS 137638-70-1
Catalog: |
BB008632 |
Product Name: |
3-(Bromomethyl)-N,N-dimethylbenzenesulfonamide |
CAS: |
137638-70-1 |
Synonyms: |
3-(bromomethyl)-N,N-dimethylbenzenesulfonamide; 3-(bromomethyl)-N,N-dimethylbenzenesulfonamide |
IUPAC Name: | 3-(bromomethyl)-N,N-dimethylbenzenesulfonamide |
Description: | 3-(Bromomethyl)-N,N-dimethylbenzenesulfonamide (CAS# 137638-70-1) is a useful research chemical. |
Molecular Weight: | 278.17 |
Molecular Formula: | C9H12BrNO2S |
Canonical SMILES: | CN(C)S(=O)(=O)C1=CC=CC(=C1)CBr |
InChI: | InChI=1S/C9H12BrNO2S/c1-11(2)14(12,13)9-5-3-4-8(6-9)7-10/h3-6H,7H2,1-2H3 |
InChI Key: | OGQSPMCAGRNFRA-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | 2.91260 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
JP-2011148774-A | Medicine containing carboxylic acid compound | 20091221 |
AU-2009263384-A1 | Carboxylic acid compound | 20080625 |
CA-2727340-A1 | Carboxylic acid compound | 20080625 |
EP-2289868-A1 | Carboxylic acid compound | 20080625 |
EP-2289868-B1 | Carboxylic acid compound | 20080625 |
Complexity: | 271 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 276.97721 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 276.97721 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 45.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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