3-Bromobiphenyl - CAS 2113-57-7
Catalog: |
BB016639 |
Product Name: |
3-Bromobiphenyl |
CAS: |
2113-57-7 |
Synonyms: |
1-bromo-3-phenylbenzene |
IUPAC Name: | 1-bromo-3-phenylbenzene |
Description: | 3-Bromobiphenyl (CAS# 2113-57-7) is used as a reagent in the synthesis of benzenesulfonamide derivatives as 12-LOX inhibitors. 3-Bromobiphenyl is also used as a reagent in the preparation of pyrrolidine derivatives as GlyT1 inhibitors. |
Molecular Weight: | 233.10 |
Molecular Formula: | C12H9Br |
Canonical SMILES: | C1=CC=C(C=C1)C2=CC(=CC=C2)Br |
InChI: | InChI=1S/C12H9Br/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H |
InChI Key: | USYQKCQEVBFJRP-UHFFFAOYSA-N |
Boiling Point: | 299-301 ℃ |
Purity: | 98 % |
Density: | 1.398 g/cm3 |
Appearance: | 3-bromobiphenyl is a clear yellow viscous liquid |
MDL: | MFCD00000082 |
LogP: | 4.11610 |
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-113501772-A | Synthetic method of biphenyl-3-sulfonyl chloride derivative | 20210728 |
CN-113149809-A | 9- ([1, 1' -biphenyl ] -3-yl) -9-phenyl-2-bromofluorene and synthesis method thereof | 20210409 |
CN-113121553-A | Organic compound, electronic element containing organic compound and electronic device | 20210324 |
CN-112961147-A | Nitrogen-containing compound and organic electroluminescent device thereof | 20210209 |
CN-112608217-A | Assembly and regulation fluorescence-enhanced aggregation-induced emission material, micro-nanosphere and preparation method and application | 20201228 |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.98876 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.98876 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.6 |
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