CAS No.40353-34-2,7-Nitro-1-tetralone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	40353-34-2
Name:	7-Nitro-1-tetralone
Article Data:	25

Formula:	C₁₀H₉NO₃
Molecular Weight:	191.186
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;
EINECS:	254-887-6
Density:	1.322 g/cm³
Melting Point:	108-109 °C
Boiling Point:	349.078 °C at 760 mmHg
Flash Point:	175.08 °C
Hazard Symbols:	1570515
Risk Codes:	1570515
Safety:	22-24/25
PSA:	62.89000
LogP:	2.63700

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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,