Dimethyl 2,5-dibromohexanedioate , CAS No.868-72-4

Item Number

D351115

Grouped product items
SKU	Size	Availability	Price	Qty
D351115-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$36.90	+-

Basic Description

Synonyms	CS-W005735 \| AKOS000280745 \| Dimethyl 2,2'-dibromoadipate \| AS-18580 \| SCHEMBL1415237 \| Amgard TOF \| HVICCJCVLLCDFQ-UHFFFAOYSA-N \| DTXSID30968220 \| dimethyl 2,5-dibromo hexanedioate \| 4-02-00-00849 (Beilstein Handbook Reference) \| Dimethyl-2,5-Dibromoadip
Storage Temp	Room temperature
Shipped In	Normal

IUPAC Name

dimethyl 2,5-dibromohexanedioate

INCHI

InChI=1S/C8H12Br2O4/c1-13-7(11)5(9)3-4-6(10)8(12)14-2/h5-6H,3-4H2,1-2H3

InChi Key

HVICCJCVLLCDFQ-UHFFFAOYSA-N

Canonical SMILES

COC(=O)C(CCC(C(=O)OC)Br)Br

Isomeric SMILES

COC(=O)C(CCC(C(=O)OC)Br)Br

PubChem CID

Molecular Weight

332

Chemical and Physical Properties

Melt Point(°C)	74-76° C
Molecular Weight	331.990 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	331.908 Da
Monoisotopic Mass	329.91 Da
Topological Polar Surface Area	52.600 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	186.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Safety and Hazards(GHS)

Pictogram(s)	GHS05, GHS07
Signal	Danger
Hazard Statements	H314:Causes severe skin burns and eye damage H302:Harmful if swallowed
Precautionary Statements	P280:Wear protective gloves/protective clothing/eye protection/face protection. P321:Specific treatment (see ... on this label). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P260:Do not breathe dust/fume/gas/mist/vapors/spray. P270:Do not eat, drink or smoke when using this product. P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P363:Wash contaminated clothing before reuse. P330:Rinse mouth. P301+P317:IF SWALLOWED: Get medical help. P305+P354+P338:IF IN EYES: Immediately rinse with water for several minutes. Remove contact lenses if present and easy to do. Continue rinsing. P302+P361+P354:IF ON SKIN: Take off Immediately all contaminated clothing. Immediately rinse with water for several minutes. P316:Get emergency medical help immediately.

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Basic Description