CAS No.3296-90-0,2,2-Bis(bromomethyl)propane-1,3-diol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3296-90-0
Name:	2,2-Bis(bromomethyl)propane-1,3-diol
Article Data:	20

Formula:	C₅H₁₀Br₂O₂
Molecular Weight:	261.941
Synonyms:	1,3-Dibromo-2,2-bis(hydroxymethyl)propane;1,3-Dibromo-2,2-dihydroxymethylpropane;1,3-Dibromo-2,2-dimethylolpropane;2,2-Bis(bromomethyl)-1,3-propanediol;2,2-Dibromomethyl-1,3-propanediol;Dibromoneopentyl glycol;FR 1138;FR 522;NSC 9001;Pentaerythritol dibromide;Pentaerythritol dibromohydrin;
EINECS:	221-967-7
Density:	1.977 g/cm³
Melting Point:	112-114 °C(lit.)
Boiling Point:	370.9 °C at 760 mmHg
Flash Point:	178.1 °C
Solubility:	19.4g/L at 20℃
Appearance:	off-white powder
Hazard Symbols:	T,Xn
Risk Codes:	45-36/37/38-40-22
Safety:	53-23-26-36/37/39-45-36/37
PSA:	40.46000
LogP:	0.74720

Synthetic route

: 115-77-5
Pentaerythritol

: 64-19-7
acetic acid

A: 3296-90-0
bis(bromomethyl)bis(hydroxymethyl)methane

B: 1522-92-5
2,2-bis(bromomethyl)-3-bromo-propan-1-ol

C: 3580-97-0
3-bromo-2,2-bis(bromomethyl)propyl acetate

D: 3-bromo-2-(bromomethyl)-2-(hydroxymethyl)propylacetate

Conditions

Conditions	Yield
With sulfuric acid; hydrogen bromide In water for 10h; Heating;	A n/a B 49% C 37% D n/a

...Expand

: 115-77-5
Pentaerythritol

: 3296-90-0
bis(bromomethyl)bis(hydroxymethyl)methane

Conditions

Conditions	Yield
With sulfuric acid; hydrogen bromide; acetic acid Reflux;	34%
With hydrogen bromide
With hydrogen bromide at 125℃;

: 115-77-5
Pentaerythritol

A: 3296-90-0
bis(bromomethyl)bis(hydroxymethyl)methane

B: 1522-92-5
2,2-bis(bromomethyl)-3-bromo-propan-1-ol

Conditions

Conditions	Yield
With hydrogen bromide at 125℃;

: 115-77-5
Pentaerythritol

: 10035-10-6, 12258-64-9
hydrogen bromide

: 3296-90-0
bis(bromomethyl)bis(hydroxymethyl)methane

Conditions

Conditions	Yield
at 125℃;

: 115-77-5
Pentaerythritol

: 10035-10-6, 12258-64-9
hydrogen bromide

A: 3296-90-0
bis(bromomethyl)bis(hydroxymethyl)methane

B: 1522-92-5
2,2-bis(bromomethyl)-3-bromo-propan-1-ol

Conditions

Conditions	Yield
at 125℃;

...Expand

: 115-77-5
Pentaerythritol

: 144-55-8
sodium hydrogencarbonate

: 3296-90-0
bis(bromomethyl)bis(hydroxymethyl)methane

Conditions

Conditions	Yield
With aqueous HBr; HBr gas In ice-water; hydrogen bromide; chlorobenzene

: 124-07-2
Octanoic acid

: 3296-90-0
bis(bromomethyl)bis(hydroxymethyl)methane

: 105-57-7
diethyl acetal

: 3296-90-0
bis(bromomethyl)bis(hydroxymethyl)methane

: 13727-36-1
5,5-bis(bromomethyl)-2-methyl-1,3-dioxane

Conditions

Conditions	Yield
With acetic acid for 1h; Heating;	100%

: 3296-90-0
bis(bromomethyl)bis(hydroxymethyl)methane

: 104274-80-8
2,2-bis(azidomethyl)propan-1,3-diol

Conditions

Conditions	Yield
With sodium azide In N,N-dimethyl-formamide at 120℃; for 20h;	100%
With sodium azide In dimethyl sulfoxide at 110℃; for 16h; Inert atmosphere;	95.3%
With sodium azide; sodium hydride In N,N-dimethyl-formamide at 120℃; for 24h;	95%

: 3296-90-0
bis(bromomethyl)bis(hydroxymethyl)methane

: 77-76-9
2,2-dimethoxy-propane

: 43153-20-4
5,5-bis-bromomethyl-2,2-dimethyl-[1,3]dioxane

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In acetone for 2h; Ambient temperature;	100%
With toluene-4-sulfonic acid at 0 - 20℃; for 2h;	100%
With toluene-4-sulfonic acid In acetone at 0 - 20℃; for 2h;	100%

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Chemistry

IUPAC Name: 2,2-bis(Bromomethyl)propane-1,3-diol
Following is the structure of 2,2-Bis(bromomethyl)propane-1,3-diol (CAS NO.3296-90-0):

Empirical Formula: C₅H₁₀Br₂O₂
Molecular Weight: 261.9397 g/mol
EINECS 221-967-7
Molar Refractivity: 43.71 cm³
Molar Volume: 132.4 cm³
Density: 1.977 g/cm³
Flash Point: 178.1 °C
Melting point: 112-114 °C
Index of Refraction: 1.573
Surface Tension: 56.9 dyne/cm
Enthalpy of Vaporization: 71.49 kJ/mol
Boiling Point: 370.9 °C at 760 mmHg
Vapour Pressure: 5.16E-07 mmHg at 25 °C
Product Categories of 2,2-Bis(bromomethyl)propane-1,3-diol (CAS NO.3296-90-0): Pharmaceutical Intermediates; Organics; Alcohols; Monomers; Polymer Science
Water Solubility of 2,2-Bis(bromomethyl)propane-1,3-diol (CAS NO.3296-90-0): 3.80E+04 mg/L at 25 °C
Appearance of 2,2-Bis(bromomethyl)propane-1,3-diol (CAS NO.3296-90-0): Off-white powder
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
InChIKey: CHUGKEQJSLOLHL-UHFFFAOYSA-N

Uses

2,2-Bis(bromomethyl)propane-1,3-diol (CAS NO.3296-90-0) can be used as flame retardant for epoxy, polyester, & urethane foams, chemical intermediate for pentaerythritol ethers, chemical intermediate for derivatives.

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	1200mg/kg (1200mg/kg)		National Technical Information Service. Vol. OTS0524337,
rat	LD50	oral	1880mg/kg (1880mg/kg)		National Technical Information Service. Vol. OTS0524337,

Safety Profile

Hazard Codes: Toxic T, Harmful Xn
Risk Statements: 45-36/37/38-40-22
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.
Safety Statements: 53-23-26-36/37/39-45-36/37
S53:Avoid exposure - obtain special instructions before use.
S23:Do not breathe vapour.
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 the label whenever possible.)
S36/37:Wear suitable protective clothing and gloves.
RIDADR: 2811
WGK Germany: 3
RTECS: TY3195500

Specification

2,2-Bis(bromomethyl)propane-1,3-diol , its cas register number is 3296-90-0. It also can be called 1,3-Dibromo-2,2-dimethylolpropane ; 1,3-Propanediol, 2,2-bis(2-bromomethyl)- ; 1,3-Propanediol, 2,2-bis(bromomethyl)- ; 2,2-Bis(2-bromomethyl)-1,3-propanediol ; 2,2-Bis(bromomethyl)-1,3-propanediol ; 2,2-Dibromomethyl-1,3-propanediol ; Dibromoneopentyl glycol ; Dibromopentaerythritol ; Pentaerythritol dibromide ; and Pentaerythritol dibromohydrin . Its classification code are Mutation data; Reproductive Effect and Tumor data.
2,2-Bis(bromomethyl)propane-1,3-diol (CAS NO.43296-90-0) should be kept in a cool, dry, dark location in a tightly sealed container or cylinder, or be kept away from incompatible materials, ignition sources and untrained individuals. Also its containers/cylinders should away from physical damage.