ChemicalBook CAS DataBase List 3296-90-0

3296-90-0

Name	2,2-Bis(bromomethyl)propane-1,3-diol
CAS	3296-90-0
EINECS(EC#)	221-967-7
Molecular Formula	C5H10Br2O2
MDL Number	MFCD00004688
Molecular Weight	261.94
MOL File	3296-90-0.mol

Synonyms

2,2-BIS(BROMOMETHYL)-1,3-PROPANEDIOL 2,2-Bis(bromomethyl)propane-1,3-diol 2,2-DI(BROMOMETHYL)PROPANE-1,3-DIOL DBNPG DIBROMONEOPENTYL GLYCOL DIBROMONEOPENTYL GLYCOL, 2,2-BIS(BROMOMETHYL)-1,3-PROPANEDIOL SAYTEX FR-1138 SAYTEX(R) FR-1138 FLAME RETARDANT 1,3-Dibromo-2,2-dihydroxymethylpropane 1,3-Dibromo-2,2-dimethylolpropane 1,3-Propanediol, 2,2-bis(2-bromomethyl)- 1,3-propanediol,2,2-bis(bromoethyl)- 2,2-Bis(2-bromomethyl)-1,3-propanediol 2,2-bis(bromomethyl)-3-propanediol 2,2-Dibromomethyl-1,3-propanediol 3-Propanediol,2,2-bis(bromomethyl)-1 Dibromopentaerythritol Emery 9336 FR 1138 Fr 522

Chemical Properties

Melting point	112-114 °C(lit.)
Boiling point	235°C (rough estimate)
density	1.8049 (rough estimate)
vapor pressure	10 mm Hg ( 178 °C)
refractive index	1.5120 (estimate)
storage temp.	Inert atmosphere,Room Temperature
solubility	Chloroform (Slightly, Heated), Methanol (Slightly, Heated)
form	Solid
pka	13.57±0.10(Predicted)
color	White to Off-White
Water Solubility	19.4g/L at 20℃
Henry's Law Constant	2.4×10³ mol/(m³Pa) at 25℃, HSDB (2015)
InChI	1S/C5H10Br2O2/c6-1-5(2-7,3-8)4-9/h8-9H,1-4H2
InChIKey	CHUGKEQJSLOLHL-UHFFFAOYSA-N
SMILES	OCC(CO)(CBr)CBr
LogP	1.08
CAS DataBase Reference	3296-90-0(CAS DataBase Reference)
IARC	2B (Vol. 77) 2000
NIST Chemistry Reference	1,3-Propanediol, 2,2-bis(bromomethyl)(3296-90-0)
EPA Substance Registry System	3296-90-0(EPA Substance)

Safety Data

Symbol(GHS)	GHS07,GHS08
Signal word	Warning
Hazard statements	H302-H315-H319-H335-H351
Precautionary statements	P202-P261-P301+P312-P302+P352-P305+P351+P338-P308+P313
Hazard Codes	T,Xn
Risk Statements	R45:May cause cancer. R36/37/38:Irritating to eyes, respiratory system and skin . R40:Limited evidence of a carcinogenic effect. R22:Harmful if swallowed. less more
Safety Statements	S53:Avoid exposure-obtain special instruction before use . S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) . S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . S36/37:Wear suitable protective clothing and gloves . less more
RIDADR	2811
WGK Germany	3
RTECS	TY3195500
TSCA	TSCA listed
REACH Registrations	Active
HS Code	29055900
Storage Class	6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects
Hazard Classifications	Carc. 1B Muta. 1B
Hazardous Substances Data	3296-90-0(Hazardous Substances Data)

Raw materials And Preparation Products

Hazard Information

General Description

Off-white powder.

Reactivity Profile

A brominated alcohol. Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert them to aldehydes or ketones. Alcohols exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides.

Air & Water Reactions

Hygroscopic . Insoluble in water.

Fire Hazard

Literature sources indicate that this compound is nonflammable.

Chemical Properties

Solid

Definition

ChEBI: 2,2-Bis(bromomethyl)propane-1,3-diol is a primary alcohol.

Hazard

2,2-Bis(bromomethyl)propane-1,3-diol, or as it is known commercially dibromoneopentyl-glycol (DBNPG), is regulated by the US environmental protection agency (EPA) under the toxic substances control act (TSCA). This compound has been defined as carcinogenic and has been shown to be mutagenic in bacteria.^[1]

Carcinogenicity

The flame retardant 2,2-bis(bromomethyl)-1,3-propanediol, technical grade, is reasonably anticipated to be a human carcinogen based on sufficient evidence of carcinogenicity from studies in experimental animals.

References

[1] SHAI EZRA. Chemical degradation of 2,2-bis(bromomethyl)propan-1,3-diol (DBNPG) in alkaline conditions.[J]. Chemosphere, 2010, 79 4: 476-481. DOI:10.1016/j.chemosphere.2010.01.016

Material Safety Data Sheet(MSDS)

Questions And Answer

Spectrum Detail

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3296-90-0

Chemical Properties

Safety Data

Raw materials And Preparation Products

Raw materials

Preparation Products

Hazard Information

General Description

Reactivity Profile

Air & Water Reactions

Fire Hazard

Chemical Properties

Definition

Hazard

Carcinogenicity

References

Material Safety Data Sheet(MSDS)

Questions And Answer

Uses

Spectrum Detail

Well-known Reagent Company Product Information

Supplier

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