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Assay
97%
refractive index
n20/D 1.587 (lit.)
bp
240-245 °C/748 mmHg (lit.)
mp
27-28 °C (lit.)
density
1.631 g/mL at 25 °C (lit.)
SMILES string
COc1cc(Br)ccc1Cl
InChI
1S/C7H6BrClO/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,1H3
InChI key
UAMVKOTWSHJOSY-UHFFFAOYSA-N
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Related Categories
Storage Class Code
10 - Combustible liquids
WGK
WGK 3
Flash Point(F)
235.4 °F - closed cup
Flash Point(C)
113 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
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Novel Stereoselective Syntheses of the Fused Benzazepine Dopamine D1 Antagonist (6a S, 13b R)-11-Chloro-6, 6a, 7, 8, 9, 13b-hexahydro-7-methyl-5 H-benzo [d] naphth [2, 1-b] azepin-12-ol (Sch 39166): 1. Aziridinium Salt Based Syntheses.
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