2-NITROPHENYL CHLOROFORMATE

The CAS register number of Carbonochloridic acid,2-nitrophenyl ester is 50353-00-9. It also can be called as 2-Nitrophenyl chloroformate and the systematic name about this chemical is 2-nitrophenyl chlorocarbonate. The molecular formula about this chemical is C₇H₄ClNO₄ and the molecular weight is 201.56. It belongs to the following product categories which include Acid Halides; Carbonyl Compounds; Organic Building Blocks and so on.

Physical properties about Carbonochloridic acid,2-nitrophenyl ester are: (1)ACD/LogP: 2.56; (2)#H bond acceptors: 5; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 72.12 Å²; (5)Index of Refraction: 1.577; (6)Molar Refractivity: 44.35 cm³; (7)Molar Volume: 133.7 cm³; (8)Polarizability: 17.58x10^-24cm³; (9)Surface Tension: 54.1 dyne/cm; (10)Density: 1.506 g/cm³; (11)Flash Point: 121.6 °C; (12)Enthalpy of Vaporization: 51.61 kJ/mol; (13)Boiling Point: 277.5 °C at 760 mmHg; (14)Vapour Pressure: 0.00451 mmHg at 25 °C.

Preparation: this chemical can be prepared by carbonyl dichloride and 2-nitro-phenol; sodium salt. This reaction will need solvent of toluene. The reaction temperature is 0 - 20 °C. The yield is about 91%.

Uses of Carbonochloridic acid,2-nitrophenyl ester: it can be used to produce carbonic acid (3,5-dimethoxy-phenyl)-(2-phenyl-[1,3]dithian-2-yl)-methyl ester 2-nitro-phenyl ester with (3,5-dimethoxy-phenyl)-(2-phenyl-[1,3]dithian-2-yl)-methanol. This reaction will need reagent of pyridine and solvent of CH₂Cl₂. The reaction time is 1 hour with ambient temperature. The yield is about 77%.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. It may destroy living tissue on contact. It can also cause burns. If you want to use this chemical, wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to store it, you should keep the container tightly sealed in dry, cool places. If you store and use this chemical according the rule, it will not be decomposed.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Cl)Oc1ccccc1[N+]([O-])=O
(2)InChI: InChI=1/C7H4ClNO4/c8-7(10)13-6-4-2-1-3-5(6)9(11)12/h1-4H
(3)InChIKey: FHLXUWOHGKLDNF-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C7H4ClNO4/c8-7(10)13-6-4-2-1-3-5(6)9(11)12/h1-4H
(5)Std. InChIKey: FHLXUWOHGKLDNF-UHFFFAOYSA-N