1,2,4,5-Tetrakis(bromomethyl)benzene
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Basic information
- CAS
15442-91-8- Standard SMILES
BrCc1cc(CBr)c(CBr)cc1CBr- InChIKey
UTXIKCCNBUIWPT-UHFFFAOYSA-N- Molecular formula
- C10H10Br4
- Average molar mass
- 449.8 g/mol
- Monoisotopic mass
- 445.7516
Names & identifiers
- Preferred name
- 1,2,4,5-Tetrakis(bromomethyl)benzene
- IUPAC
- 1,2,4,5-tetrakis(bromomethyl)benzene
- English name
- 1,2,4,5-Tetrakis(bromomethyl)benzene
- Molecular formula
- C10H10Br4
- Molecular weight
- 449.8
Names & synonyms
1,2,4,5-Tetrakis(bromomethyl)benzene1,2,4,5-Tetra(bromomethyl)benzeneBenzene, 1,2,4,5-tetrakis(bromomethyl)-DTXSID703011571,2,4,5-Tetrakis[bromomethyl]benzeneRefChem:71467DTXCID70252291628-021-6UTXIKCCNBUIWPT-UHFFFAOYSA-N15442-91-8C10H10Br41,2,4,5-Tetrakis-(bromomethyl)-benzene
Show more names
TETRABROMODURENE1,2,4,5-Tetrakis(bromomethyL5-TETRAKIS(BROMOMETHYL)BENZENE1,2,4,5-TETRA[BROMOMETHYL]BENZENEBenzene,1,2,4,5-tetrakis(broMoMethyl)-1,2,4,5-Tetrakis(bromomethyl)benzene 95%1,2,4,5-Tetrakis(bromomethyl)benzene,98%1,2,4,5-TETRAKIS(BROMOMETHYL)BENZENE, 95 %1,2,4,5-Tetrakis(broMoMethyl)benzene, 95% 25GR
MFCD00009664NSC141461SCHEMBL338590WLZ3392SBB059464AKOS015889197CS-W011582NSC-141461
Database identifiers
- CAS
15442-91-8- PubChem CID
- 284971
- DTXSID
DTXSID70301157- EC Number
- 628-021-6
- Nikkaji
- J236.640A
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 128
Physicochemical properties
- Melting point
- 159 · 159-161 °C(lit.)
- Boiling point
- 326.93 °C · 326.93°C (rough estimate)
- Density
- 2.168 · 2.168
- refractive index
- 1.704 · 1.7040 (estimate)
- storage temp.
- Refrigerator, under inert atmosphere
- solubility
- Chloroform (Slightly), Dichloromethane (Slightly), Methanol (Slightly)
- form
- Crystalline Powder
- color
- Off-white to light yellow
- InChI
- 1S/C10H10Br4/c11-3-7-1-8(4-12)10(6-14)2-9(7)5-13/h1-2H,3-6H2
- InChIKey
- UTXIKCCNBUIWPT-UHFFFAOYSA-N
- SMILES
- BrCc1cc(CBr)c(CBr)cc1CBr
- CAS DataBase Reference
- 15442 · 15442-91-8(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
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
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)；STOT SE 3 (97.6%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN 3261 8/PG 2
- hs_code
- 29039990
- risk_code
- 34-36/37
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- C
- safety_code
- 26-27-28-36/37/39-45
- hazard_class
- 8
Chemistry & industry
Applications
Uses1,2,4,5-Tetrakis(bromomethyl)benzene has been used in the synthesis of:tetrapodal imidazolium ligands as their PF6 salts6,7-bis(bromomethyl)-2,11,18,21,24-pentaoxatetracyclo[23.4. 0.04,9.012,17]nonacosa-1(25),4(9),5,7,12 (17),13,15,26,28-nonaeneconformationally constrained cyclic α-amino acid derivativesthiacyclophanes dendrimeric organoplatinum complexes
Upstream & downstream products
Upstream raw materials
Suppliers
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Related reactions
1 records
Compound notes
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