2,2-Bis(bromomethyl)-1,3-propanediol

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Names

[ Name ]:
2,2-Bis(bromomethyl)-1,3-propanediol

[Synonym ]:
FR 1138
Dibromopentaerythritol
Pentaerythritol dibromohydrin
2,2-Bis(bromomethyl)-1,3-propanediol
EINECS 221-967-7
MFCD00004688
Dibromoneopentyl Glycol
2,2-Bis(bromomethyl)propane-1,3-diol
1,3-Propanediol, 2,2-bis(bromomethyl)-
Pentaerythritol dibromide

Chemical & Physical Properties

[ Density]:
2.0±0.1 g/cm3

[ Boiling Point ]:
370.9±42.0 °C at 760 mmHg

[ Melting Point ]:
112-114 °C(lit.)

[ Molecular Formula ]:
C₅H₁₀Br₂O₂

[ Molecular Weight ]:
261.940

[ Flash Point ]:
178.1±27.9 °C

[ Exact Mass ]:
259.904755

[ PSA ]:
40.46000

[ LogP ]:
0.38

[ Vapour Pressure ]:
0.0±1.9 mmHg at 25°C

[ Index of Refraction ]:
1.574

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: TY3195500

CHEMICAL NAME :: 1,3-Propanediol, 2,2-bis(bromomethyl)-

CAS REGISTRY NUMBER :: 3296-90-0

BEILSTEIN REFERENCE NO. :: 1304582

LAST UPDATED :: 199801

DATA ITEMS CITED :: 19

MOLECULAR FORMULA :: C5-H10-Br2-O2

MOLECULAR WEIGHT :: 261.97

WISWESSER LINE NOTATION :: Q1X1Q1E1E

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1880 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1200 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 109 gm/kg/13W-C

TOXIC EFFECTS :: Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis) Kidney, Ureter, Bladder - other changes Nutritional and Gross Metabolic - weight loss or decreased weight gain

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 9 gm/kg/30D-I

TOXIC EFFECTS :: Liver - changes in liver weight

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 73 gm/kg/2Y-C

TOXIC EFFECTS :: Sense Organs and Special Senses (Eye) - effect, not otherwise specified

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 36 gm/kg/13W-I

TOXIC EFFECTS :: Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis) Kidney, Ureter, Bladder - other changes Nutritional and Gross Metabolic - weight loss or decreased weight gain

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 72800 mg/kg/Y-C

TOXIC EFFECTS :: Tumorigenic - Carcinogenic by RTECS criteria Skin and Appendages - tumors

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 102 gm/kg/2Y-C

TOXIC EFFECTS :: Tumorigenic - Carcinogenic by RTECS criteria Lungs, Thorax, or Respiration - tumors

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 124 gm/kg

SEX/DURATION :: male 15 week(s) pre-mating female 15 week(s) pre-mating

TOXIC EFFECTS :: Reproductive - Maternal Effects - parturition Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured before birth) Reproductive - Effects on Newborn - other postnatal measures or effects

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 62 gm/kg

SEX/DURATION :: female 15 week(s) pre-mating

TOXIC EFFECTS :: Reproductive - Fertility - female fertility index (e.g. # females pregnant per # sperm positive females; # females pregnant per # females mated) Reproductive - Effects on Newborn - other postnatal measures or effects

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 62 gm/kg

SEX/DURATION :: male 15 week(s) pre-mating

TOXIC EFFECTS :: Reproductive - Paternal Effects - testes, epididymis, sperm duct Reproductive - Paternal Effects - prostate, seminal vesicle, Cowper's gland, accessory glands

MUTATION DATA

TYPE OF TEST :: Cytogenetic analysis

TEST SYSTEM :: Rodent - hamster Ovary

DOSE/DURATION :: 800 mg/L

REFERENCE :: EMMUEG Environmental and Molecular Mutagenesis. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.10- 1987- Volume(issue)/page/year: 10(Suppl 10),1,1987 *** REVIEWS *** TOXICOLOGY REVIEW FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 13,747,1989

Safety Information

[ Symbol ]:

GHS07, GHS08

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302-H315-H319-H335-H351

[ Precautionary Statements ]:
P280-P301 + P312 + P330-P305 + P351 + P338

[ 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

[ Hazard Codes ]:
T:Toxic;

[ Risk Phrases ]:
R45;R36/37/38

[ Safety Phrases ]:
S53-S23-S26-S36/37/39-S45-S36/37

[ RIDADR ]:
2811

[ WGK Germany ]:
3

[ RTECS ]:
TY3195500

[ HS Code ]:
2905590090

Precursor & DownStream

Precursor

Pentaerythritol
SodiuM bicarbonate
Octanoic acid
Hydrogen bromide

DownStream

5, 5-Bis(bromomethyl)-2, 2-dimethyl-1, 3-dioxane
2-(3-(HYDROXYMETHYL)OXETAN-3-YL)ACETONITRILE
pentaerythrityl tetrabromide
5,5-bis(bromomethyl)-1,3-dioxane
2-(hydroxymethyl)-2-[(2-methoxy-4-prop-2-enylphenoxy)methyl]propane-1,3-diol
1,3-Propanediol,2,2-bis(bromomethyl)-, 1,3-diacetate
3-Bromo-2,2-bis(bromomethyl)propanol
[3-(bromomethyl)oxetan-3-yl]methanol
2,6-Dioxaspiro[3.3]heptane
1,3-Dioxane, 5,5-bis(bromomethyl)-2-phenyl-

Customs

[ HS Code ]: 2905590090

[ Summary ]:
2905590090 other halogenated, sulphonated, nitrated or nitrosated derivatives of acyclic alcohols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

Articles

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

Toxicol. Sci. 92(1) , 143-56, (2006)

There has been considerable interest in the use of small fish models for detecting potential environmental carcinogens. In this study, both guppies (Poecilia reticulata) and medaka (Oryzias latipes) w...

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).

Natl. Toxicol. Program Tech. Rep. Ser. (528) , 1-190, (2005)

The NTP chose to initiate studies in fish as an exploration of alternate or additional models for examining chemical toxicity and carcinogenicity. The use of small fish species in carcinogenicity test...

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

Toxicol. Pathol. 31 Suppl , 88-91, (2003)

A need exists for whole animal toxicity, mutagenesis, and carcinogenesis models that are alternative to the traditional rodent test models and that are economical, sensitive, and scientifically accept...

2,2-Bis(bromomethyl)-1,3-propanediol
2,2-Bis(bromomethyl)-1,3-propanediol
2,2-BIS(BROMOMETHYL)-1,3-PROPANEDIOL
2,2-bis(bromomethyl)-1,3-propanediol diglycidyl ether
2,5-Furandione,polymer with 2,2-bis(bromomethyl)-1,3-propanediol and oxybis(propanol)
2,2-bis(bromomethyl)-1,3-dioxolane
3-methoxy-N-(1-phenylethyl)isoxazole-5-carboxamide
N-((1s,3s)-adamantan-1-yl)-3-(benzyloxy)isoxazole-5-carboxamide
N-methyl-1-(3-(methylthio)pyrazin-2-yl)-N-(piperidin-4-ylmethyl)methanamine hydrochloride
5-((2-(indolin-1-yl)-2-oxoethyl)thio)-6-isobutyl-2-methyl-2H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
2-(4-ethyl-6-oxo-2-(pyridin-4-yl)pyrimidin-1(6H)-yl)-N-(3-(methylthio)phenyl)acetamide
2-((6-(2-Chlorophenyl)pyridazin-3-yl)thio)acetonitrile
5-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrrol-2-yl)-3-(4-(trifluoromethoxy)phenyl)-1,2,4-oxadiazole
N-(4-chloro-3-(trifluoromethyl)phenyl)-4-(6,8-dioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)butanamide
1-(pyrrolidin-1-ylsulfonyl)-N-(4-sulfamoylphenethyl)piperidine-4-carboxamide
2-(1H-indol-1-yl)-N-(4-(2-methoxyphenoxy)but-2-yn-1-yl)acetamide

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