CAS No.3027-38-1,3-NITRO-1,8-NAPHTHALIC ANHYDRIDE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	3027-38-1
Name:	3-NITRO-1,8-NAPHTHALIC ANHYDRIDE
Article Data:	33

Formula:	C₁₂H₅NO₅
Molecular Weight:	243.175
Synonyms:	Naphthalicanhydride, 3-nitro- (6CI,7CI,8CI);3-Nitro-1,8-naphthalenedicarboxylicanhydride;3-Nitro-1,8-naphthalic acid anhydride;3-Nitro-1,8-naphthalicanhydride;3-Nitronaphthalic anhydride;5-Nitro-1H,3H-benzo[de]isochromene-1,3-dione;NSC 32326;YY 187;5-nitro-1H,3H-benzo[de]isochromene-1,3-dione;1H,3H-naphtho[1,8-cd]pyran-1,3-dione, 5-nitro-;
EINECS:	201-380-2
Density:	1.637 g/cm³
Melting Point:	247-249 °C (dec.)(lit.)
Boiling Point:	499.5 °C at 760 mmHg
Flash Point:	256.4 °C
Appearance:	Light yellow to beige or light brown powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	89.19000
LogP:	2.58180

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Specification

The 1H,3H-Naphtho[1,8-cd]pyran-1,3-dione,5-nitro-, with the CAS registry number 3027-38-1 and EINECS registry number 201-380-2, has the systematic name of 5-nitro-1H,3H-benzo[de]isochromene-1,3-dione. It is a kind of light yellow to beige or light brown powder, and belongs to the following product categories: Phthalic Acids, Esters and Derivatives. And the molecular formula of the chemical is C₁₂H₅NO₅.

The characteristics of 1H,3H-Naphtho[1,8-cd]pyran-1,3-dione,5-nitro- are as followings: (1)ACD/LogP: 1.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.48; (4)ACD/LogD (pH 7.4): 1.48; (5)ACD/BCF (pH 5.5): 7.9; (6)ACD/BCF (pH 7.4): 7.9; (7)ACD/KOC (pH 5.5): 152.82; (8)ACD/KOC (pH 7.4): 152.82; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 89.19 Å²; (13)Index of Refraction: 1.742; (14)Molar Refractivity: 60.06 cm³; (15)Molar Volume: 148.5 cm³; (16)Polarizability: 23.81×10^-24cm³; (17)Surface Tension: 80.6 dyne/cm; (18)Density: 1.637 g/cm³; (19)Flash Point: 256.4 °C; (20)Enthalpy of Vaporization: 76.79 kJ/mol; (21)Boiling Point: 499.5 °C at 760 mmHg; (22)Vapour Pressure: 4.12E-10 mmHg at 25°C.

Uses of 1H,3H-Naphtho[1,8-cd]pyran-1,3-dione,5-nitro-: It can react with 1-ethyl-piperidin-3-ylamine to produce 2-(1-ethyl-piperidin-3-yl)-5-nitro-benzo[de]isoquinoline-1,3-dione. This reaction will need menstruum ethanol. The reaction time is 2 hours with ambient temperature, and the yield is about 37%.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [O-][N+](=O)c2cc1cccc3c1c(c2)C(=O)OC3=O
(2)InChI: InChI=1/C12H5NO5/c14-11-8-3-1-2-6-4-7(13(16)17)5-9(10(6)8)12(15)18-11/h1-5H
(3)InChIKey: FLFLZYYDLIKGJQ-UHFFFAOYAX