Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

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

Related Products

Hot Products

Name

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

EINECS 213-470-9
CAS No. 955-03-3 Density 1 g/cm3
PSA 49.66000 LogP 4.38510
Solubility N/A Melting Point 211-213 °C
Formula C14H21NO2 Boiling Point 316.6 °C at 760mmHg
Molecular Weight 235.326 Flash Point 145.3 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 955-03-3 (2,6-DI(TERT-BUTYL)-4-NITROSOPHENOL) Hazard Symbols FlammableF, ToxicT
Synonyms

Phenol,2,6-di-tert-butyl-4-nitroso- (6CI,7CI,8CI);2,6-Di-tert-butyl-4-nitrosophenol;2,6-Di-tert-butyl-p-nitrosophenol;4-Nitroso-2,6-di-tert-butylphenol;NSC677540;

Article Data 20

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

The Phenol,2,6-bis(1,1-dimethylethyl)-4-nitroso- is an organic compound with the formula C14H21NO2. The IUPAC name of this chemical is 2,6-ditert-butyl-4-nitrosophenol. With the CAS registry number 955-03-3, it is also named as Phenol, 2,6-di-tert-butyl-4-nitroso-. The classification code is Mutation data.

The other characteristics of Phenol,2,6-bis(1,1-dimethylethyl)-4-nitroso- can be summarized as: (1)ACD/LogP: 4.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.2; (4)ACD/LogD (pH 7.4): 2.53; (5)ACD/BCF (pH 5.5): 713.25; (6)ACD/BCF (pH 7.4): 15.19; (7)ACD/KOC (pH 5.5): 2856.11; (8)ACD/KOC (pH 7.4): 60.84; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.502; (13)Molar Refractivity: 69.22 cm3; (14)Molar Volume: 234.2 cm3; (15)Polarizability: 27.44×10-24 cm3; (16)Surface Tension: 31.6 dyne/cm; (17)Enthalpy of Vaporization: 58.02 kJ/mol; (18)Vapour Pressure: 0.000219 mmHg at 25°C; (19)Rotatable Bond Count: 2; (20)Tautomer Count: 4; (21)Exact Mass: 235.157229; (22)MonoIsotopic Mass: 235.157229; (23)Topological Polar Surface Area: 49.7; (24)Heavy Atom Count: 17; (25)Complexity: 251.

When you are using this chemical, please be cautious about it as the following:
It is not only harmful by inhalation, in contact with skin and if swallowed, but also irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure. 
1. SMILES:O=Nc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
2. InChI:InChI=1/C14H21NO2/c1-13(2,3)10-7-9(15-17)8-11(12(10)16)14(4,5)6/h7-8,16H,1-6H3
3. InChIKey:JLOKPJOOVQELMO-UHFFFAOYAH
4. Std. InChI:InChI=1S/C14H21NO2/c1-13(2,3)10-7-9(15-17)8-11(12(10)16)14(4,5)6/h7-8,16H,1-6H3
5. Std. InChIKey:JLOKPJOOVQELMO-UHFFFAOYSA-N

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 955-03-3