CAS 3296-90-0 2,2-Bis(bromomethyl)propane-1,3-diol

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2,2-Bis(bromomethyl)propane-1,3-diol

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Catalog Number

ACM3296900

Product Name

2,2-Bis(bromomethyl)propane-1,3-diol

Structure

CAS

3296-90-0

Category

Polymers

Synonyms

FR 1138;Dibromoneopentyl glycol;Pentaerythritol dibromide;Dibromopentaerythritol;2,2-Bis(broMoMethyl)-1,3-propanediol

Description

It is a brominated flame retardant, previously shown to be a multisite carcinogen in experimental animals. The compound is used as a fire retardant in unsaturated polyester resins, in molded products, and in rigid polyurethane foam. It shows clear evidence of carcinogenicity and genotoxicity activity.

IUPAC Name

2,2-bis(bromomethyl)propane-1,3-diol

Molecular Weight

261.94g/mol

Molecular Formula

C5H10Br2O2

Canonical SMILES

C(C(CO)(CBr)CBr)O

InChI

InChI=1S/C5H10Br2O2/c6-1-5(2-7,3-8)4-9/h8-9H,1-4H2

InChI Key

CHUGKEQJSLOLHL-UHFFFAOYSA-N

Boiling Point

455 °F at 760 mm Hg (decomposes) (NTP, 1992)

Melting Point

112-114ºC

Flash Point

178.1ºC

Density

1.977 g/cm³

Solubility

less than 1 mg/mL at 66° F (NTP, 1992);0.15 M;In water, 38 g/L at 25 °C

Appearance

White crystal

Color/Form

Needles from benzene

Complexity

67.4

Covalently-Bonded Unit Count

EC Number

221-967-7

Exact Mass

261.90271g/mol

Formal Charge

Heavy Atom Count

Log P

0.74720

MDL Number

MFCD00004688

MeSH Entry Terms

2,2-BBMPD;2,2-bis(bromomethyl)-1,3-propanediol

Monoisotopic Mass

259.90475g/mol

NSC Number

9001

Other Experimental

61% bromine content; mp =109 °C /Commercial product/;Henry's Law constant = 4.06X10-9 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 8.97X10-12 cu cm/molec-sec at 25 °C (est)

Refractive Index

1.573

Rotatable Bond Count

Storage Conditions

Keep in a cool, dry, dark location in a tightly sealed container or cylinder. Keep away from incompatible materials, ignition sources and untrained individuals. Secure and label area. Protect containers/cylinders from physical damage.

UNII

4ZHG182S25

Vapor Pressure

10 mm Hg ( 178 °C)

WGK Germany

XLogP3

0.5

MSDS

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COA

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Spec Sheet