(1S-cis)-3-Bromo-3,5-cyclohexadiene-1,2-diol

ALDRICH/489492 - 0.2 g/mL in 0.1 M phosphate buffer, 96%

Synonym: (1S,2S)-3-Bromo-3,5-cyclohexadiene-1,2-diol

CAS Number: 130792-45-9
Empirical Formula (Hill Notation): C₆H₇BrO₂
Molecular Weight: 191.02
MDL Number: MFCD00216512
Linear Formula: C₆H₇BrO₂
Product Type: Chemical

Catalog Number	PKG Qty.	Price


45-489492-5G	5 g	$917.00 1/EA	Add To Favorites

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This image depicts SKU: 489492-5G

Properties
Descriptions
Safety Info.
Basic Data

assay	96%
concentration	0.2 g/mL in 0.1 M phosphate buffer
functional group	bromo
	hydroxyl
InChI	1S/C6H7BrO2/c7-4-2-1-3-5(8)6(4)9/h1-3,5-6,8-9H/t5-,6+/m0/s1
InChI key	KLPGXZKAVBGFGF-NTSWFWBYSA-N
mp	90-94 °C (lit.)
optical activity	[α]22/D +20°, c = 1 in methanol
pH	8.5(adjusted to)
Quality Level	100
SMILES string	O[C@H]1C=CC=C(Br)[C@H]1O
storage temp.	−20°C

General description:	(1S-cis)-3-Bromo-3,5-cyclohexadiene-1,2-diol is a chiral cis-dienediol employed as a key building block for the preparation of varieties of natural products. It can undergo few chemical reactions like cycloadditions, sigmatropic rearrangements, electrophilic additions, and oxidative cleavage.
Packaging:	5 g in poly bottle
Physical form:	A suspension in phosphate buffer.
Preparation Note:	To recover the pure product from the suspension: (1)Thaw the frozen suspension and filter the solid. (2) Rinse bottle with a few milliliters of base-washed (aqueous Na₂CO₃) ethyl acetate. (3) Use the rinsing to wash the solid. (4) Collect solid. (5) To further collect more product from the filtrate: extract filtrate with equal volumes of base-washed (aqueous Na₂CO₃) ethyl acetate (repeat three times). (6) Dry the ethyl acetate extract over MgSO₄. (7) Evaporate the solvent - DO NOT HEAT! (8) Combine solids collected from the suspension and the filtrate. Pure crystals should be stored at -78° C. A suspension of the product in phosphate buffer is stable at 0° C.

RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point(F)	Not applicable
Flash Point(C)	Not applicable

Purity	96%
mp	90-94 °C (lit.)
Storage Temp.	−20°C
UNSPSC	12352002

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