CAS No.58574-05-3,1-tert-Butyl-3-nitro-4-chlorobenzene Suppliers

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Basic Information

Molecular Structure:
CAS No.:	58574-05-3
Name:	1-tert-Butyl-3-nitro-4-chlorobenzene
Article Data:	7

Formula:	C₁₀H₁₂ClNO₂
Molecular Weight:	213.664
Synonyms:	Benzene,4-tert-butyl-1-chloro-2-nitro- (6CI,7CI);1-Chloro-2-nitro-4-tert-butylbenzene;4-tert-Butyl-1-chloro-2-nitrobenzene;4-Chloro-3-nitro-tert-butylbenzene;1-tert-Butyl-3-nitro-4-chlorobenzene;
EINECS:	682-230-7
Density:	1.188 g/cm³
Boiling Point:	270.462 °C at 760 mmHg
Flash Point:	117.372 °C

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Specification

The Benzene,1-chloro-4-(1,1-dimethylethyl)-2-nitro-, with the CAS registry number 58574-05-3, is also known as 1-tert-Butyl-3-nitro-4-chlorobenzene. This chemical's molecular formula is C₁₀H₁₂ClNO₂ and formula weight is 213.66. What's more, its IUPAC name is 4-tert-butyl-1-chloro-2-nitrobenzene.

Physical properties of Benzene,1-chloro-4-(1,1-dimethylethyl)-2-nitro- are: (1)ACD/LogP: 4.40; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 45.82 Å²; (7)Index of Refraction: 1.536; (8)Molar Refractivity: 56.081 cm³; (9)Molar Volume: 179.913 cm³; (10)Surface Tension: 37.99 dyne/cm; (11)Density: 1.188 g/cm³; (12)Flash Point: 117.372 °C; (13)Enthalpy of Vaporization: 48.816 kJ/mol; (14)Boiling Point: 270.462 °C at 760 mmHg; (15)Vapour Pressure: 0.011 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cc(ccc1Cl)C(C)(C)C
(2)InChI: InChI=1S/C10H12ClNO2/c1-10(2,3)7-4-5-8(11)9(6-7)12(13)14/h4-6H,1-3H3
(3)InChIKey: AGZGOTUKAZSIIO-UHFFFAOYSA-N