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Basic information
- CAS
3229-00-3- Standard SMILES
BrCC(CBr)(CBr)CBr- InChIKey
OYSVBCSOQFXYHK-UHFFFAOYSA-N- Molecular formula
- C5H8Br4
- Average molar mass
- 387.73 g/mol
- Monoisotopic mass
- 383.73595
Names & identifiers
- Preferred name
- Propane, 1,3-dibromo-2,2-bis(bromomethyl)-
- IUPAC
- 1,3-dibromo-2,2-bis(bromomethyl)propane
- English name
- Pentaerythrityl tetrabromide
- Molecular formula
- C5H8Br4
- Molecular weight
- 387.73
Names & synonyms
3229-00-3Pentaerythrityl tetrabromide1,3-Dibromo-2,2-bis(bromomethyl)propanePropane, 1,3-dibromo-2,2-bis(bromomethyl)-EINECS 221-764-3DTXSID1062916RefChem:176275DTXCID9038478221-764-3InChI=1/C5H8Br4/c6-1-5(2-7,3-8)4-9/h1-4HOYSVBCSOQFXYHK-UHFFFAOYSA-NPentaerythritol tetrabromide
Show more names
Pentaerithrityl TetrabromidePentaerythrytol tetrabromide
Tetrakis(bromomethyl)methaneTetrabromoneopentaneTetra(bromomethyl)methanePentaerythrityl bromidePENTAERYTHRITYLTETRABROMIDEMFCD00000210NSC 89982,2-Bis(bromomethyl)-1,3-dibromopropane
Database identifiers
- CAS
3229-00-3- PubChem CID
- 76701
- DTXSID
DTXSID1062916- EC Number
- 221-764-3
- Nikkaji
- J13.011G
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 51
Physicochemical properties
- Melting point
- 158 · 158-160 °C(lit.)
- Boiling point
- 305 · 305-306 °C(lit.)
- Density
- 2.596 g/mL · 2.596 g/mL at 25 °C(lit.)
- refractive index
- 1.6208 · 1.6208 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Water Solubility
- Insoluble in water
- form
- powder to crystal
- color
- White to Almost white
- BRN
- 1679275 · 1679275
- InChI
- InChI=1S/C5H8Br4/c6-1-5(2-7,3-8)4-9/h1-4H2
- InChIKey
- OYSVBCSOQFXYHK-UHFFFAOYSA-N
- SMILES
- C(Br)C(CBr)(CBr)CBr
- CAS DataBase Reference
- 3229 · 3229-00-3(CAS DataBase Reference)
- EPA Substance Registry System
- 1 · Propane, 1,3-dibromo-2,2-bis(bromomethyl)- (3229-00-3)
- UNSPSC Code
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
CSL Reaction Information
CSL00030
SODIUM AZIDE + Pentaerythrityl tetrabromide
This reaction should NOPT be conducted in excess of 5 mg and then only with extreme care to prevent explosion
Explosive,Toxic
AZIDE
Not Available
Safety data
- F
- 10-21
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29033990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropane, 1,3-dibromo-2,2-bis(bromomethyl)-: ACTIVE
Applications
UsesPentaerythritol tetrabromide is generally used as a flexible organic linker to build three-dimensional molecular frameworks such as dendrimers and metal-organic frameworks (MOFs). It can also be used in the synthesis of spiropentane, which is the simplest spiro-cycloalkane.
Upstream & downstream products
Downstream products
Suppliers79 total
山东玖玥生物科技有限公司15553333686 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
陕西格列弗生物科技研究有限责任公司18409274651; 13892423764 · [email protected]
湖北万得化工有限公司
Related reactions
4 records
Compound notes
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