Basic information
- CAS
21524-34-5- Standard SMILES
CC(C)c1cc(C(C)C)c(Br)c(C(C)C)c1- InChIKey
FUMMYHVKFAHQST-UHFFFAOYSA-N- Molecular formula
- C15H23Br
- Average molar mass
- 283.25 g/mol
- Monoisotopic mass
- 282.09831284
Names & identifiers
- Preferred name
- 1-Bromo-2,4,6-triisopropylbenzene
- IUPAC
- 2-bromo-1,3,5-tri(propan-2-yl)benzene
- English name
- 1-BROMO-2,4,6-TRIISOPROPYLBENZENE
- Molecular formula
- C15H23Br
- Molecular weight
- 283.25
Names & synonyms
2-Bromo-1,3,5-triisopropylbenzene21524-34-51-Bromo-2,4,6-triisopropylbenzeneDTXSID80175861RefChem:430179DTXCID4098352807-580-12-bromo-1,3,5-tri(propan-2-yl)benzene2,4,6-Triisopropylbromobenzene2-BROMO-1,3,5-TRIS(PROPAN-2-YL)BENZENEMFCD000515472-bromo-1,3,5-triisopropyl-benzene
Show more names
bromo-2,4,6-triisopropylbenzene1-Bromo-2,4,6-triisopropyL1,3,5-Triisopropyl-2-broMobenz2,4,6-Triisopropylphenyl bromide2-BroMo-1,3,5-triisopropylbenzen1-BroMo-2,4,6-tri-i-propylbenzene1,3,5-Triisopropyl-2-bromobenzene
Benzene, 2-bromo-1,3,5-tris(1-methylethyl)-2-Bromo-1,3,5-tris(1-methylethyl)benzeneSCHEMBL3396792,4,6 -triisopropylbromobenzeneFUMMYHVKFAHQST-UHFFFAOYSA-CS-D1723AKOS0091582172-Bromo-1,3,5-triisopropylbenzene #
Database identifiers
- CAS
21524-34-5- PubChem CID
- 140846
- DTXSID
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 189
Physicochemical properties
- Boiling point
- 96 · 96-97 °C0.1 mm Hg(lit.)
- Density
- 1.118 g/mL · 1.118 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.523(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Inert atmosphere,Room Temperature
- form
- clear liquid
- color
- Colorless to Light yellow
- Water Solubility
- Slightly miscible with water.
- BRN
- 1953440 · 1953440
- InChI
- InChI=1S/C15H23Br/c1-9(2)12-7-13(10(3)4)15(16)14(8-12)11(5)6/h7-11H,1-6H3
- InChIKey
- FUMMYHVKFAHQST-UHFFFAOYSA-N
- SMILES
- C1(C(C)C)=CC(C(C)C)=CC(C(C)C)=C1Br
- CAS DataBase Reference
- 21524 · 21524-34-5
- 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
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- PPE
- Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
- wgk
- 3
- hs_code
- 29039990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 23-24/25
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Applications
Usessuzuki reaction
Uses1-Bromo-2,4,6-triisopropylbenzene can be used in the synthesis of 1-fluoro-2,4,6-triisopropylbenzene, a fluorine-substituted aromatic building block for agrochemical synthesis and pharmaceutical production. It can also be used in the synthesis of di-2,4,6-triisopropylphenyl diselenide via reaction with metallic selenium in the presence of tertiary-butyl lithium.
Upstream & downstream products
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
科瑞迪化学
Related reactions
10 records
Compound notes
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