1,3,5-Tris(bromomethyl)-2,4,6-triethylbenzene
Basic information
- CAS
181058-08-2- Standard SMILES
CCc1c(CBr)c(CC)c(CBr)c(CC)c1CBr- InChIKey
UMKPSDHZXLYFJF-UHFFFAOYSA-N- Molecular formula
- C15H21Br3
- Average molar mass
- 441 g/mol
- Monoisotopic mass
- 437.91934
Names & identifiers
- Preferred name
- 1,3,5-Tris(bromomethyl)-2,4,6-triethylbenzene
- IUPAC
- 1,3,5-tris(bromomethyl)-2,4,6-triethylbenzene
- English name
- 1,3,5-Tris(bromomethyl)-2,4,6-triethylbenzene
- Molecular formula
- C15H21Br3
- Molecular weight
- 441.04
Names & synonyms
1,3,5-Tris(bromomethyl)-2,4,6-triethylbenzene181058-08-2TriBrDTXSID70404612RefChem:72360DTXCID00355466626-917-1MFCD01076347Benzene, 1,3,5-tris(bromomethyl)-2,4,6-triethyl-C15H21Br31,3,5-tris(bromomethyl)-2,4,6-triethyl-benzeneSCHEMBL637364
Show more names
1,3,5-tri(bromethyl)-2,4,6-triethylbenzene1,3,5-tri(broMoMethyl)-2,4,6-triethylbenzene2,4,6-Triethyl-1,3,5-tris(bromomethyl)benzene1,3,5-Tris(broMoMethyl)-2,4,6-triethylbenzene 98%
YSZC5771-N-CBZ-2-BenzylpiperazineUMKPSDHZXLYFJF-UHFFFAUMKPSDHZXLYFJF-UHFFFAOYSA-NAKOS015910937s12365DA-17772LS-14424
Database identifiers
- CAS
181058-08-2- PubChem CID
- 4589352
- DTXSID
DTXSID70404612- EC Number
- 626-917-1
- Nikkaji
- J1.550.742J
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- Melting point
- 172 · 172-177 °C
- Boiling point
- 392.3 · 392.3±37.0 °C(Predicted)
- Density
- 1.595 · 1.595±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- form
- crystals
- Appearance
- White to off-white Solid
- BRN
- 7639256 · 7639256
- InChI
- 1S/C15H21Br3/c1-4-10-13(7-16)11(5-2)15(9-18)12(6-3)14(10)8-17/h4-9H2,1-3H3
- InChIKey
- UMKPSDHZXLYFJF-UHFFFAOYSA-N
- SMILES
- CCc1c(CBr)c(CC)c(CBr)c(CC)c1CBr
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H413
- Precautionary statements
- 273 · P273-P302+P352-P305+P351+P338
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/38
- Safety Statements
- 26 · 26
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Eye · Aquatic Chronic 4Eye Irrit. 2Skin Irrit. 2
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]
P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 36/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H413
- Hazard Classifications
- Aquatic Chronic 4Eye Irrit. 2Skin Irrit. 2
- Precautionary statements
- P273-P302+P352-P305+P351+P338
Suppliers
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Related reactions
1 records
Compound notes
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