1,3,5-Tri(tert-butyl)-2-nitrosobenzene
Basic information
- CAS
24973-59-9- Standard SMILES
CC(C)(C)c1cc(C(C)(C)C)c(N=O)c(C(C)(C)C)c1- InChIKey
OSICDPWAPKXXHT-UHFFFAOYSA-N- Molecular formula
- C18H29NO
- Average molar mass
- 275.4 g/mol
- Monoisotopic mass
- 275.22491455
Names & identifiers
- Preferred name
- 1,3,5-Tri(tert-butyl)-2-nitrosobenzene
- IUPAC
- 1,3,5-tritert-butyl-2-nitrosobenzene
- English name
- 2,4,6-Tri-tert-butylnitrosobenzene
- Molecular formula
- C18H29NO
- Molecular weight
- 275.43
Names & synonyms
24973-59-92,4,6-tri-tert-ButylnitrosobenzeneBenzene, 1,3,5-tris(1,1-dimethylethyl)-2-nitroso-1,3,5-Tri(tert-butyl)-2-nitrosobenzeneSZX3GP4GT9EINECS 246-553-3NSC 677542NSC-677542DTXSID401796881,3,5-TRIS(1,1-DIMETHYLETHYL)-2-NITROSOBENZENERefChem:412485DTXCID00102179
Show more names
BNBTTBNBAKOS BC-0698RARECHEM AQ BD 00222,4,6-Tri-t-butylnitrosobenzeneNitrosobenzene, 2,4,6-tri-tert-butyl-1-Nitroso-2,4,6-tri-tert-butylbenzene
246-553-31,3,5-Tri-tert-butyl-2-nitrosobenzene1,3,5-Tritert-butyl-2-nitrosobenzene2,4,6-Tri-t-butyl-nitrosobenzeneNSC6775421,3,5-tritert-butyl-2-nitroso-benzeneMFCD000088172-Nitroso-1,3,5-tri-tert-butylbenzene
Database identifiers
- CAS
24973-59-9- PubChem CID
- 90676
- DTXSID
DTXSID40179688- UNII
- SZX3GP4GT9
- EC Number
- 246-553-3
- Nikkaji
- J286.436C
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 29.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 316
Physicochemical properties
- Melting point
- 168 · 168-173 °C
- Boiling point
- 418.37 °C · 418.37°C (rough estimate)
- Density
- 0.9809 · 0.9809 (rough estimate)
- refractive index
- 1.5 · 1.5000 (estimate)
- storage temp.
- 2 · 2-8°C
- form
- Powder
- color
- Green
- FDA UNII
- 3 GP4GT9 · SZX3GP4GT9
- Hazard statements
- 413 · H413
- Safety Statements
- 24 · 24/25
- WGK Germany
- 3 · 3
- HS Code
- 29042000 · 29042000
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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, 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.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Safety data
- wgk
- 3
- hs_code
- 29042000
- safety_code
- 24/25
- Hazard statements
- H413
Chemistry & industry
Applications
Uses2,4,6-Tri-tert-butylnitrosobenzene (cas# 24973-59-9) is a useful research chemical. It is used in the determination of mechanism of polymer thermolysis at low temperatures using spin trap ESR.
Upstream & downstream products
Downstream products
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