CAS 3296-90-0|2,2-Di(bromomethyl)propane-1,3-diol|2,2-bis(bromomethyl)propane-1,3-diol|2,2-bis(bromomethyl)propane-1,3-diol|Dibromoneopentyl glycol|1,3-Dibromo-2,2-dimethylolpropane|FR 522|Pentaeryt...

C₅H₁₀Br₂O₂

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

CHUGKEQJSLOLHL-UHFFFAOYSA-N

Acid pKa

14.6855755

H Acceptors

H Donor

LogD (pH = 5.5)

0.34158772

LogD (pH = 7.4)

0.3415877

Log P

0.34158772

Molar Refractivity

43.7967

Polarizability

17.185112

Polar Surface Area

40.46

Rotatable Bonds

Lipinski's Rule of Five

true

2,2-Di(bromomethyl)propane-1,3-diolDibromoneopentyl glycol1,3-Dibromo-2,2-dimethylolpropaneFR 522Pentaerythritol DibromideFR 1138Pentaerythritol Dibromohydrin1,3-Dibromo-2,2-bis(hydroxymethyl)propaneNSC 90012,2-bis(bromomethyl)propane-1,3-diol2,2-Bis(bromomethyl)-1,3-propanediol2,2-Bis(bromomethyl)-1,3-propanediol2,2-二(溴甲基)-1,3-丙二醇

IUPAC Traditional name

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

Melting Point

112-114°C

112-114 °C(lit.)

Vapor Pressure

10 mmHg ( 178 °C)

Hydrophobicity(logP)

0.067

H302-H315-H319-H335-H351

P261-P281-P305+P351+P338

Click here to submit data

301930

Packaging
1, 3 kg in glass bottle
25 g in glass bottle

P269970

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 evidenc

• Hayashi, M., et al.: Food Chem. Toxicol., 26, 485 (1983)

• Heddle, J., et al.: Mutat. Res., 123, 61 (1983)

• LeBoeuf, R., et al.: Mutat. Res., 356, 85 (1983)

• Myhr, B., et al.: Environ. Mol. Mutagen., 18, 51 (1983)

Names and Identifiers

Synonyms

IUPAC Traditional name

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

IUPAC name

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

Registration numbers

MDL Number

PubChem SID

CAS Number

EC Number

PubChem CID

Molecule Details

301930

Packaging
1, 3 kg in glass bottle
25 g in glass bottle

TRC

P269970

References

PubChem Literature

From Data Sources

• Hayashi, M., et al.: Food Chem. Toxicol., 26, 485 (1983)

• Heddle, J., et al.: Mutat. Res., 123, 61 (1983)

• LeBoeuf, R., et al.: Mutat. Res., 356, 85 (1983)

• Myhr, B., et al.: Environ. Mol. Mutagen., 18, 51 (1983)

Bioactivity

PubChem BioAssay

Safety Statements

26-36/37

GHS Signal Word

Warning

European Hazard Symbols

Harmful (Xn)

MSDS Link

Download link

Risk Statements

22-36/37/38-40

RTECS

TY3195500

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Respiratory sensitization, category 1

Germ cell mutagenicity, categories 1A,1B,2

Carcinogenicity, categories 1A,1B,2

Reproductive toxicity, categories 1A,1B,2

Specific Target Organ Toxicity – Single exposure, categories 1,2

Specific Target Organ Toxicity – Repeated exposure, categories 1,2

Aspiration Hazard, category 1

Personal Protective Equipment

Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges

German water hazard class

Certificate of Analysis

GHS Hazard statements

GHS Precautionary statements

Molecule

ID:83535