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7-Nitro-1-tetralone

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Name

7-Nitro-1-tetralone

EINECS 254-887-6
CAS No. 40353-34-2 Density 1.322 g/cm3
PSA 62.89000 LogP 2.63700
Solubility N/A Melting Point 108-109 °C
Formula C10H9NO3 Boiling Point 349.078 °C at 760 mmHg
Molecular Weight 191.186 Flash Point 175.08 °C
Transport Information N/A Appearance N/A
Safety 22-24/25 Risk Codes 1570515
Molecular Structure Molecular Structure of 40353-34-2 (7-Nitro-1-tetralone) Hazard Symbols 1570515
Synonyms

3,4-Dihydro-7-nitronaphthalen-1(2H)-one;7-Nitro-3,4-dihydro-1(2H)-naphthalenone;7-Nitro-3,4-dihydro-2H-naphthalen-1-one;7-Nitro-a-tetralone;NSC 184729;NSC 78452;7-nitro-3,4-dihydronaphthalen-1(2H)-one;

Article Data 25

7-Nitro-1-tetralone Specification

The 1(2H)-Naphthalenone, 3,4-dihydro-7-nitro-, with the CAS registry number 40353-34-2 and EINECS registry number 254-887-6, has the systematic name of 7-nitro-3,4-dihydronaphthalen-1(2H)-one. And the molecular formula of this chemical is C10H9NO3. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.

The physical properties of 1(2H)-Naphthalenone, 3,4-dihydro-7-nitro- are as following: (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.361; (4)ACD/LogD (pH 7.4): 1.361; (5)ACD/BCF (pH 5.5): 6.373; (6)ACD/BCF (pH 7.4): 6.373; (7)ACD/KOC (pH 5.5): 131.023; (8)ACD/KOC (pH 7.4): 131.023; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 62.89 Å2; (13)Index of Refraction: 1.604; (14)Molar Refractivity: 49.715 cm3; (15)Molar Volume: 144.602 cm3; (16)Polarizability: 19.709×10-24cm3; (17)Surface Tension: 55.582 dyne/cm; (18)Density: 1.322 g/cm3; (19)Flash Point: 175.08 °C; (20)Enthalpy of Vaporization: 59.353 kJ/mol; (21)Boiling Point: 349.078 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Uses of 1(2H)-Naphthalenone, 3,4-dihydro-7-nitro-: It can react with pyrrolidine to produce 1-(7-nitro-3,4-dihydro-naphthalen-1-yl)-pyrrolidine. This reaction will need reagent TiCl4, and the solvents diethyl ether and hexane. The reaction temperature is 0°C, and the yield is about 90%.

1(2H)-Naphthalenone, 3,4-dihydro-7-nitro- can react with pyrrolidine to produce 1-(7-nitro-3,4-dihydro-naphthalen-1-yl)-pyrrolidine

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1N(=O)=O)C(=O)CCC2
(2)InChI: InChI=1/C10H9NO3/c12-10-3-1-2-7-4-5-8(11(13)14)6-9(7)10/h4-6H,1-3H2
(3)InChIKey: GWAQYWSNCVEJMW-UHFFFAOYAU

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00954,

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