3296-90-0,MFCD00004688
Catalog No.:AA003B0E

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

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100g
98%
in stock  
$16.00   $12.00
- +
500g
>98.0%(GC)
in stock  
$62.00   $44.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003B0E
Chemical Name:
2,2-Bis(bromomethyl)propane-1,3-diol
CAS Number:
3296-90-0
Molecular Formula:
C5H10Br2O2
Molecular Weight:
261.9397
MDL Number:
MFCD00004688
SMILES:
OCC(CBr)(CBr)CO
NSC Number:
9001
Properties
Properties
 
BP:
370.9°C at 760 mmHg  
Form:
Solid  
MP:
112-114 °C(lit.)  
Refractive Index:
1.5120 (estimate)  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
67.4  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.5  

Literature

Title: Use of an avian hepatocyte assay and the avian Toxchip Polymerse chain reaction array for testing prioritization of 16 organic flame retardants.

Journal: Environmental toxicology and chemistry 20140301

Title: Occupational exposures to chemicals as a possible etiology in premature ovarian failure: a critical analysis of the literature.

Journal: Reproductive toxicology (Elmsford, N.Y.) 20120601

Title: Induction of DNA damage in human urothelial cells by the brominated flame retardant 2,2-bis(bromomethyl)-1,3-propanediol: role of oxidative stress.

Journal: Toxicology 20111218

Title: 1,1'-[(1,3-Dihydroxypropane-2,2-diyl)dimethylene]dipyridinium bis-(hexa-fluoro-phosphate).

Journal: Acta crystallographica. Section E, Structure reports online 20110501

Title: 2,2-Bis(bromomethyl)-1,3-propanediol (technical grade).

Journal: Report on carcinogens : carcinogen profiles 20110101

Title: In vitro glucuronidation of 2,2-bis(bromomethyl)-1,3-propanediol by microsomes and hepatocytes from rats and humans.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20100601

Title: Chemical degradation of 2,2-bis(bromomethyl)propan-1,3-diol (DBNPG) in alkaline conditions.

Journal: Chemosphere 20100401

Title: Absorption, distribution, metabolism, and excretion of 2,2-bis(bromomethyl)-1,3-propanediol in male fischer-344 rats.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20090201

Title: Application of genomic biomarkers to predict increased lung tumor incidence in 2-year rodent cancer bioassays.

Journal: Toxicological sciences : an official journal of the Society of Toxicology 20070501

Title: Retardation of organo-bromides in a fractured chalk aquitard.

Journal: Journal of contaminant hydrology 20060810

Title: The utility of the guppy (Poecilia reticulata) and medaka (Oryzias latipes) in evaluation of chemicals for carcinogenicity.

Journal: Toxicological sciences : an official journal of the Society of Toxicology 20060701

Title: NTP carcinogenesis studies of 2,2-bis(bromomethyl)-1,3-propanediol, nitromethane, and 1,2,3-trichloropropane (cas nos. 3296-90-0, 75-52-5, and 96-18-4) in guppies (Poecilia reticulata) and medaka (Oryzias latipes) (Waterborne Studies).

Journal: National Toxicology Program technical report series 20051001

Title: Predominant K-ras codon 12 G --> A transition in chemically induced lung neoplasms in B6C3F1 mice.

Journal: Toxicologic pathology 20040101

Title: 2,2-bis(Bromomethyl)-1,3-propanediol (technical grade).

Journal: Report on carcinogens : carcinogen profiles 20040101

Title: Use of the Japanese medaka (Oryzias latipes) and guppy (Poecilia reticulata) in carcinogenesis testing under national toxicology program protocols.

Journal: Toxicologic pathology 20030101

Title: Identification of mammary carcinogens in rodent bioassays.

Journal: Environmental and molecular mutagenesis 20020101

Title: 2,2-bis(Bromomethyl)-1,3-propanediol (technical grade).

Journal: Report on carcinogens : carcinogen profiles 20020101

Title: Sugar-pendant diamines.

Journal: The Journal of organic chemistry 20010601

Title: Carcinogenic activity of the flame retardant, 2,2-bis(bromomethyl)-1,3-propanediol in rodents, and comparison with the carcinogenicity of other NTP brominated chemicals.

Journal: Toxicologic pathology 19970101

Title: NTP Toxicology and Carcinogenesis Studies of 2,2-Bis(Bromomethyl)-1,3-Propanediol (FR-1138(R)) (CAS No. 3296-90-0) in F344 Rats and B6C3F1 Mice (Feed Studies).

Journal: National Toxicology Program technical report series 19960501

Title: Reproductive toxicity of 2,2-bis(bromomethyl)-1,3-propanediol in a continuous breeding protocol in Swiss (CD-1) mice.

Journal: Fundamental and applied toxicology : official journal of the Society of Toxicology 19890801

Title: Kidney and urinary bladder lesions in F344/N rats and B6C3F1 mice after 13 weeks of 2,2-bis(bromomethyl)-1,3-propanediol administration.

Journal: Fundamental and applied toxicology : official journal of the Society of Toxicology 19890401

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SDS
Tags:3296-90-0 Molecular Formula|3296-90-0 MDL|3296-90-0 SMILES|3296-90-0 2,2-Bis(bromomethyl)propane-1,3-diol
Catalog No.: AA003B0E
3296-90-0,MFCD00004688
3296-90-0 | 2,2-Bis(bromomethyl)propane-1,3-diol
Pack Size: 100g
Purity: 98%
in stock
$16.00 $12.00
Pack Size: 500g
Purity: >98.0%(GC)
in stock
$62.00 $44.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003B0E
Chemical Name: 2,2-Bis(bromomethyl)propane-1,3-diol
CAS Number: 3296-90-0
Molecular Formula: C5H10Br2O2
Molecular Weight: 261.9397
MDL Number: MFCD00004688
SMILES: OCC(CBr)(CBr)CO
NSC Number: 9001
Properties
BP: 370.9°C at 760 mmHg  
Form: Solid  
MP: 112-114 °C(lit.)  
Refractive Index: 1.5120 (estimate)  
Storage: Inert atmosphere;Room Temperature;  
Complexity: 67.4  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 9  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.5  
Literature fold

Title: Use of an avian hepatocyte assay and the avian Toxchip Polymerse chain reaction array for testing prioritization of 16 organic flame retardants.

Journal: Environmental toxicology and chemistry20140301

Title: Occupational exposures to chemicals as a possible etiology in premature ovarian failure: a critical analysis of the literature.

Journal: Reproductive toxicology (Elmsford, N.Y.)20120601

Title: Induction of DNA damage in human urothelial cells by the brominated flame retardant 2,2-bis(bromomethyl)-1,3-propanediol: role of oxidative stress.

Journal: Toxicology20111218

Title: 1,1'-[(1,3-Dihydroxypropane-2,2-diyl)dimethylene]dipyridinium bis-(hexa-fluoro-phosphate).

Journal: Acta crystallographica. Section E, Structure reports online20110501

Title: 2,2-Bis(bromomethyl)-1,3-propanediol (technical grade).

Journal: Report on carcinogens : carcinogen profiles20110101

Title: In vitro glucuronidation of 2,2-bis(bromomethyl)-1,3-propanediol by microsomes and hepatocytes from rats and humans.

Journal: Drug metabolism and disposition: the biological fate of chemicals20100601

Title: Chemical degradation of 2,2-bis(bromomethyl)propan-1,3-diol (DBNPG) in alkaline conditions.

Journal: Chemosphere20100401

Title: Absorption, distribution, metabolism, and excretion of 2,2-bis(bromomethyl)-1,3-propanediol in male fischer-344 rats.

Journal: Drug metabolism and disposition: the biological fate of chemicals20090201

Title: Application of genomic biomarkers to predict increased lung tumor incidence in 2-year rodent cancer bioassays.

Journal: Toxicological sciences : an official journal of the Society of Toxicology20070501

Title: Retardation of organo-bromides in a fractured chalk aquitard.

Journal: Journal of contaminant hydrology20060810

Title: The utility of the guppy (Poecilia reticulata) and medaka (Oryzias latipes) in evaluation of chemicals for carcinogenicity.

Journal: Toxicological sciences : an official journal of the Society of Toxicology20060701

Title: NTP carcinogenesis studies of 2,2-bis(bromomethyl)-1,3-propanediol, nitromethane, and 1,2,3-trichloropropane (cas nos. 3296-90-0, 75-52-5, and 96-18-4) in guppies (Poecilia reticulata) and medaka (Oryzias latipes) (Waterborne Studies).

Journal: National Toxicology Program technical report series20051001

Title: Predominant K-ras codon 12 G --> A transition in chemically induced lung neoplasms in B6C3F1 mice.

Journal: Toxicologic pathology20040101

Title: 2,2-bis(Bromomethyl)-1,3-propanediol (technical grade).

Journal: Report on carcinogens : carcinogen profiles20040101

Title: Use of the Japanese medaka (Oryzias latipes) and guppy (Poecilia reticulata) in carcinogenesis testing under national toxicology program protocols.

Journal: Toxicologic pathology20030101

Title: Identification of mammary carcinogens in rodent bioassays.

Journal: Environmental and molecular mutagenesis20020101

Title: 2,2-bis(Bromomethyl)-1,3-propanediol (technical grade).

Journal: Report on carcinogens : carcinogen profiles20020101

Title: Sugar-pendant diamines.

Journal: The Journal of organic chemistry20010601

Title: Carcinogenic activity of the flame retardant, 2,2-bis(bromomethyl)-1,3-propanediol in rodents, and comparison with the carcinogenicity of other NTP brominated chemicals.

Journal: Toxicologic pathology19970101

Title: NTP Toxicology and Carcinogenesis Studies of 2,2-Bis(Bromomethyl)-1,3-Propanediol (FR-1138(R)) (CAS No. 3296-90-0) in F344 Rats and B6C3F1 Mice (Feed Studies).

Journal: National Toxicology Program technical report series19960501

Title: Reproductive toxicity of 2,2-bis(bromomethyl)-1,3-propanediol in a continuous breeding protocol in Swiss (CD-1) mice.

Journal: Fundamental and applied toxicology : official journal of the Society of Toxicology19890801

Title: Kidney and urinary bladder lesions in F344/N rats and B6C3F1 mice after 13 weeks of 2,2-bis(bromomethyl)-1,3-propanediol administration.

Journal: Fundamental and applied toxicology : official journal of the Society of Toxicology19890401

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