6-Bromo-3,4-dihydro-2H-1,4-benzoxazine - CAS 105655-01-4
Catalog: |
BB001688 |
Product Name: |
6-Bromo-3,4-dihydro-2H-1,4-benzoxazine |
CAS: |
105655-01-4 |
Synonyms: |
6-bromo-3,4-dihydro-2H-1,4-benzoxazine; 6-bromo-3,4-dihydro-2H-1,4-benzoxazine |
IUPAC Name: | 6-bromo-3,4-dihydro-2H-1,4-benzoxazine |
Description: | 6-Bromo-3,4-dihydro-2H-1,4-benzoxazine (CAS# 105655-01-4) is a reactant used for the synthesis of N-dichloroacetyl-3,4-dihydro-2H-1,4-benzoxazine derivatives. |
Molecular Weight: | 214.06 |
Molecular Formula: | C8H8BrNO |
Canonical SMILES: | C1COC2=C(N1)C=C(C=C2)Br |
InChI: | InChI=1S/C8H8BrNO/c9-6-1-2-8-7(5-6)10-3-4-11-8/h1-2,5,10H,3-4H2 |
InChI Key: | RWKBNMSHIJBNAO-UHFFFAOYSA-N |
Boiling Point: | 296.364 ℃ at 760 mmHg |
Density: | 1.534 g/cm3 |
Appearance: | Yellow to brown liquid |
LogP: | 2.39140 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111763180-A | Benzoazaheterocycle compound and preparation method and pharmaceutical application thereof | 20190402 |
WO-2020191022-A1 | Inhibiting ubiquitin specific peptidase 9x | 20190318 |
WO-2021055668-A1 | Inhibiting ubiquitin specific peptidase 9x | 20190318 |
US-2020197391-A1 | Compounds that participate in cooperative binding and uses thereof | 20181221 |
WO-2020132597-A1 | Compounds that participate in cooperative binding and uses thereof | 20181221 |
Complexity: | 142 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.97893 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.97893 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 21.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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