3-Bromobenzothiophene 1,1-Dioxide - CAS 16957-97-4
Catalog: |
BB012561 |
Product Name: |
3-Bromobenzothiophene 1,1-Dioxide |
CAS: |
16957-97-4 |
Synonyms: |
3-bromo-1-benzothiophene 1,1-dioxide; 3-bromo-1-benzothiophene 1,1-dioxide |
IUPAC Name: | 3-bromo-1-benzothiophene 1,1-dioxide |
Description: | 3-Bromobenzothiophene 1,1-Dioxide (CAS# 16957-97-4) is a useful research chemical. |
Molecular Weight: | 245.09 |
Molecular Formula: | C8H5BrO2S |
Canonical SMILES: | C1=CC=C2C(=C1)C(=CS2(=O)=O)Br |
InChI: | InChI=1S/C8H5BrO2S/c9-7-5-12(10,11)8-4-2-1-3-6(7)8/h1-5H |
InChI Key: | BWCBGYFBSVPRLL-UHFFFAOYSA-N |
Boiling Point: | 403.9 °C at 760 mmHg |
Density: | 1.874 g/cm3 |
LogP: | 3.24800 |
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 |
Publication Number | Title | Priority Date |
CN-106103436-A | Organic semiconductor compound | 20140317 |
EP-3119776-B1 | Organic semiconducting compounds | 20140317 |
JP-2017512855-A | Organic semiconductor compounds | 20140317 |
KR-20160124913-A | Organic semiconducting compounds | 20140317 |
TW-201538508-A | Organic semiconductive compound | 20140317 |
Complexity: | 312 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 243.91936 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.91936 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 42.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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