Phenol, 2,6-bis(1,1-dimethylethyl)-4-nitroso-

HCID 70383
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Basic information

CAS
15052-28-5
Standard SMILES
CC(C)(C)c1cc(N=O)cc(C(C)(C)C)c1O
InChIKey
JLOKPJOOVQELMO-UHFFFAOYSA-N
Molecular formula
C14H21NO2
Average molar mass
235.32 g/mol
Monoisotopic mass
235.15722891

Names & identifiers

Preferred name
Phenol, 2,6-bis(1,1-dimethylethyl)-4-nitroso-
IUPAC
2,6-ditert-butyl-4-nitrosophenol
English name
2,6-DI-TERT-BUTYL-P-BENZOQUINONE-4-OXIME
Molecular formula
C14H21NO2
Molecular weight
235.32

Names & synonyms

955-03-3Phenol, 2,6-bis(1,1-dimethylethyl)-4-nitroso-Phenol, 2,6-di-tert-butyl-4-nitroso-EINECS 213-470-9BRN 1881205DTXSID7061350RefChem:860747DTXCID10489642,6-Di-tert-butyl-4-nitrosophenol15052-28-52,6-di-tert-butyl-p-benzoquinone-4-oxime2,6-Ditert-butyl-4-nitrosophenol
Show more names
2,6-di-t-butyl-p-benzoquinone-4-oxime2,6-DI-TERT-BUTYL-[1,4]BENZOQUINONE MONOOXIME2,6-DI-TERT-BUTYL-P-BENZOQUINONE-4-OXIME, 98+%2,6-Di-tert-butyl-[1,4]-benzoquinone monooximes2,6-Di-tert-butyl-4-hydroxyimino-2,5-cyclohexadien-1-one2,6-Di-tert-butyl-4-(hydroxyimino)-2,5-cyclohexadien-1-one2,5-Cyclohexadiene-1,4-dione, 2,6-bis(1,1-dimethylethyl)-, 4-oxime
2,6-Di(tert-butyl)-4-nitrosophenol2,6-Di-tert-butyl-4-(hydroxyimino)cyclohexa-2,5-dienoneNSC6775402,6-ditert-butyl-4-nitroso-phenol4-nitroso-2,6-di-tert-butylphenolMFCD00026290ACF3THM268CBDivE_003144

Database identifiers

CAS
15052-28-5、955-03-3
PubChem CID
70383
DTXSID
DTXSID7061350
UNII
ACF3THM268
EC Number
213-470-9、681-442-7
Nikkaji
J71.617K、J81.818F

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
49.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
17

Experimental & physicochemical properties

Endocrine DisruptorsPotential endocrine disrupting compound

Physicochemical properties

Melting point
218 · 218-220°C
Boiling point
337.3 · 337.3±35.0 °C(Predicted)
Density
1 · 1.00±0.1 g/cm3(Predicted)
pka
6.49 · 6.49±0.58(Predicted)
BRN
1966406 · 1966406
Stability
Stable. Incompatible with strong oxidizing agents.

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (90.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (90.5%)

Safety data

risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
26-36
Hazard statements
H302
Precautionary statements
P264-P270-P301+P312-P330-P501

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPhenol, 2,6-bis(1,1-dimethylethyl)-4-nitroso-: INACTIVE

Suppliers3 total

陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]

Related reactions

11 records
New reaction record

Compound notes

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