Kehua AI (Shenzhen) Innovative Drug R&D Co., Ltd.    Healthy Roots Biotechnology (Shenzhen) Co., Limited    Joint Development

1. Primary Information

English name: Allyl 2,4,6-tribromophenyl ether
CAS No.: 3278-89-5
Molecular formula: C9H7BR3O
Molecular weight: 370.86 g/mol
SMILES: C=CCOC1=C(C=C(C=C1Br)Br)Br
Structural class:
Other identifiers:

allyl 2,4,6-tribromophenyl ether

allyl-2,4,6-tribromophenyl ether

TBP-AE

2. Suppliers & Pricing

Supplier Pack size Purity Price (CNY) Storage conditions Lead time Notes
Kehua Intelligence 100mg ≥98% 1272 2-8℃ in stock -
Kehua Intelligence 100g ≥98% 96 2-8℃ in stock -
Kehua Intelligence 500g ≥98% 336 2-8℃ in stock -

3. Structures

3.1 2D structure


3.2 3D structure


4. International Nomenclature & Identifiers

4.1 IUPAC Name

1,3,5-tribromo-2-prop-2-enoxybenzene


4.2 InChI

InChI=1S/C9H7Br3O/c1-2-3-13-9-7(11)4-6(10)5-8(9)12/h2,4-5H,1,3H2


4.3 InChIKey

RZLLIOPGUFOWOD-UHFFFAOYSA-N


4.4 Canonical SMILES

C=CCOC1=C(C=C(C=C1Br)Br)Br


4.5 Isomeric SMILES

-

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon