1-tert-Butyl-3-nitro-4-chlorobenzene

Details:

1. Introduction of 1-tert-Butyl-3-nitro-4-chlorobenzene

1-tert-Butyl-3-nitro-4-chlorobenzene (CAS NO.58574-05-3) is a yellow-green oily liquid and can be used as a intermediate. You can call it 4-Tert-Butyl-2-nitrochlorobenzene too. We can provide the 97%min(GC) to you. Our production capacity of this chemical is 5 metric ton per year. The FOB price of this product is 0-100000 USD/kilogram. We will delivery it from the beijing port. Besides, it is in stock now. What's more, the L/C or T/T are the best.

Other specification:

Appearance:Yellow-green oily liquid
Assay: ≥97%(GC)
Isomer:  ≤2.0%
Synonyms: 4-Tert-Butyl-2-nitrochlorobenzene
Formula:     C₁₀H₁₂ClNO₂
CAS NO.: 58574-05-3
 M.W.:        213.66
Feature:      Yellow-green oily liquid, BP: 270℃/760 mmHg, d4201.188, FP 117℃.

2. Basic information of 1-tert-Butyl-3-nitro-4-chlorobenzene

1) Properties:

(1)XLogP3-AA: 4.1; (2)H-Bond Donor: 0; (3)H-Bond Acceptor: 2; (4)Rotatable Bond Count: 1; (5)Exact Mass: 213.055656; (6)MonoIsotopic Mass: 213.055656; (7)Topological Polar Surface Area: 45.8; (8)Heavy Atom Count: 14; (9)Formal Charge: 0; (10)Complexity: 219; (11)Isotope Atom Count: 0; (12)Defined Atom Stereocenter Count: 0; (13)Undefined Atom Stereocenter Count: 0; (14)Defined Bond Stereocenter Count: 0; (15)Undefined Bond Stereocenter Count: 0; (16)Covalently-Bonded Unit Count: 1; (17)Feature 3D Acceptor Count: 2; (18)Feature 3D Anion Count: 1; (19)Feature 3D Hydrophobe Count: 1; (20)Feature 3D Ring Count: 1; (21)Effective Rotor Count: 2; (22)Conformer Sampling RMSD: 0.6.

2) Descriptors of Structure

InChI: InChI=1S/C10H12ClNO2/c1-10(2,3)7-4-5-8(11)9(6-7)12(13)14/h4-6H,1-3H3
InChIKey: AGZGOTUKAZSIIO-UHFFFAOYSA-N
Canonical SMILES: CC(C)(C)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]
IUPAC Name: 4-tert-butyl-1-chloro-2-nitrobenzene