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

Modify Date: 2026-07-01 22:17:13

2,2-Bis(bromomethyl)-1,3-propanediol Structure
2,2-Bis(bromomethyl)-1,3-propanediol structure
 Common Name 2,2-Bis(bromomethyl)-1,3-propanediol
CAS Number 3296-90-0 Molecular Weight 261.940
Density 2.0±0.1 g/cm3 Boiling Point 370.9±42.0 °C at 760 mmHg
Molecular Formula C5H10Br2O2 Melting Point 112-114 °C(lit.)
MSDS Chinese USA Flash Point 178.1±27.9 °C
Symbol GHS07 GHS08
GHS07, GHS08		 Signal Word Warning

Summary: 2,2-Bis(bromomethyl)-1,3-propanediol, also known as 2,2-Bis(bromomethyl)propane-1,3-diol, with CAS number 3296-90-0, has a molecular formula of C5H10Br2O2 and a molecular weight of 261.940. It appears as a white crystal with a melting point of 112-114°C and is used as a reactive flame retardant. For research-use only, not for medical or clinical usage.

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name 2,2-Bis(bromomethyl)propane-1,3-diol
Synonym More Synonyms

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

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
InChIKey CHUGKEQJSLOLHL-UHFFFAOYSA-N
SMILES OCC(CO)(CBr)CBr

 MSDS

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

 Toxicological Information

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

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

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Symbol GHS07 GHS08
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

 Customs

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

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%

 Articles21

More Articles

This table lists relevant public references with title, journal and publication metadata for this compound.

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-propanediolBioassay

View more

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273
Name: p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
Source: 824
Target: N/A
External Id: P53600
Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
Source: 824
Target: N/A
External Id: P53MS958
Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: Summary
Source: 824
External Id: P53MS482
Name: p53 small molecule agonists, cell-based qHTS assay
Source: 824
External Id: P53344
Name: p53 small molecule agonists, cell-based qHTS assay with human liver microsomes
Source: 824
Target: tumor suppressor p53 [Homo sapiens]
External Id: P53MS233
Name: p53 small molecule agonists, cell-based qHTS assay with human liver microsomes: qHTS ...
Source: 824
Target: N/A
External Id: P53MS837
Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes
Source: 824
Target: tumor suppressor p53 [Homo sapiens]
External Id: P53MS898
Name: qHTS Assay for Small Molecule Inhibitors of the Human hERG Channel Activity
Source: NCGC
External Id: HERG01
Name: Adrenergic beta2 receptor (ADRB2) small molecule agonists, cell-based qHTS assay
Source: 824
External Id: ADRB2293
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 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

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
Pentaerythritol dibromide

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

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the LogP of 2,2-Bis(bromomethyl)propane-1,3-diol?
A: LogP of 2,2-Bis(bromomethyl)propane-1,3-diol is 0.38.
Q: What is the melting point of 2,2-Bis(bromomethyl)propane-1,3-diol?
A: Melting point of 2,2-Bis(bromomethyl)propane-1,3-diol is 112-114 °C(lit.).
Q: What is the boiling point of 2,2-Bis(bromomethyl)propane-1,3-diol?
A: Boiling point of 2,2-Bis(bromomethyl)propane-1,3-diol is 370.9±42.0 °C at 760 mmHg.
Q: What is the InChIKey of 2,2-Bis(bromomethyl)propane-1,3-diol?
A: InChIKey of 2,2-Bis(bromomethyl)propane-1,3-diol is CHUGKEQJSLOLHL-UHFFFAOYSA-N.
Q: What is the molecular weight of 2,2-Bis(bromomethyl)propane-1,3-diol?
A: Molecular weight of 2,2-Bis(bromomethyl)propane-1,3-diol is 261.940.
Q: What are the downstream products of 2,2-Bis(bromomethyl)propane-1,3-diol?
A: Related downstream products(CAS) of 2,2-Bis(bromomethyl)propane-1,3-diol: 43153-20-4;42941-62-8;3229-00-3;22633-46-1;101101-44-4;3492-43-1;1522-92-5;22633-44-9;174-79-8;3733-29-7.
Q: What is the polar surface area (PSA) of 2,2-Bis(bromomethyl)propane-1,3-diol?
A: Polar surface area (PSA) of 2,2-Bis(bromomethyl)propane-1,3-diol is 40.46000.
Q: What is the molecular formula of 2,2-Bis(bromomethyl)propane-1,3-diol?
A: Molecular formula of 2,2-Bis(bromomethyl)propane-1,3-diol is C5H10Br2O2.
Q: What English synonyms does 2,2-Bis(bromomethyl)propane-1,3-diol have?
A: English synonyms of 2,2-Bis(bromomethyl)propane-1,3-diol: 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, Pentaerythritol dibromide.
Q: What is the CAS number of 2,2-Bis(bromomethyl)propane-1,3-diol?
A: CAS number of 2,2-Bis(bromomethyl)propane-1,3-diol is 3296-90-0.

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

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
Henan Tianfu Chemical Co., Ltd.
Zhongshan Xingrui Chemical Co. , Ltd.
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Chemsrc provides 2,2-Bis(bromomethyl)-1,3-propanediol(CAS#:3296-90-0) MSDS, density, melting point, boiling point, structure, formula, molecular weight etc. Articles of 2,2-Bis(bromomethyl)-1,3-propanediol are included as well.>> amp version: 2,2-Bis(bromomethyl)-1,3-propanediol

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