4-Bromobenzo[b]thiophene - CAS 5118-13-8
Catalog: |
BB027363 |
Product Name: |
4-Bromobenzo[b]thiophene |
CAS: |
5118-13-8 |
Synonyms: |
4-bromo-1-benzothiophene; 4-bromo-1-benzothiophene |
IUPAC Name: | 4-bromo-1-benzothiophene |
Description: | 4-Bromobenzo[b]thiophene (CAS# 5118-13-8) is a useful research chemical. |
Molecular Weight: | 213.09 |
Molecular Formula: | C8H5BrS |
Canonical SMILES: | C1=CC2=C(C=CS2)C(=C1)Br |
InChI: | InChI=1S/C8H5BrS/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5H |
InChI Key: | QPBSEYFVZDMBFW-UHFFFAOYSA-N |
Boiling Point: | 284.7 °C at 760 mmHg |
Density: | 1.649 g/cm3 |
MDL: | MFCD08669544 |
LogP: | 3.66380 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111377942-A | Benzo five-membered fused heterocycle organic compound and application thereof | 20200331 |
WO-2021163254-A1 | Heterocyclic pad4 inhibitors | 20200212 |
CN-111004211-A | Synthetic method of brexpiprazole intermediate 4-bromobenzo [ b ] thiophene | 20191229 |
CN-111004211-B | Synthetic method of brexpiprazole intermediate 4-bromobenzo [ b ] thiophene | 20191229 |
US-2021147386-A1 | Pyrrolidine and piperidine compounds | 20191106 |
Complexity: | 126 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.92953 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.92953 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 28.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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