CAS No.19037-69-5,7-HYDROXY-4-METHYL-8-NITROCOUMARIN Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	19037-69-5
Name:	7-HYDROXY-4-METHYL-8-NITROCOUMARIN
Article Data:	18

Formula:	C₁₀H₇NO₅
Molecular Weight:	221.169
Synonyms:	Coumarin,7-hydroxy-4-methyl-8-nitro- (7CI,8CI);Umbelliferone, 4-methyl-8-nitro- (6CI);4-Hydroxy-4-methyl-8-nitrocoumarin;4-Methyl-7-hydroxy-8-nitrocoumarin;7-Hydroxy-4-methyl-8-nitrocoumarin;7-Hydroxy-8-nitro-4-methyl-2H-chromen-2-one;NSC 382373;
EINECS:	-0
Density:	1.521 g/cm³
Melting Point:	254-259 °C(lit.)
Boiling Point:	402.5 °C at 760 mmHg
Flash Point:	197.2 °C
Hazard Symbols:	Xn,Xi
Risk Codes:	22-43-36/37/38
Safety:	36/37-36-26
PSA:	96.26000
LogP:	2.23840

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Specification

The CAS register number of 2H-1-Benzopyran-2-one,7-hydroxy-4-methyl-8-nitro- is 19037-69-5. It also can be called as 4-Hydroxy-4-methyl-8-nitrocoumarin and the IUPAC name about this chemical is 7-hydroxy-4-methyl-8-nitrochromen-2-one. The molecular formula about this chemical is C₁₀H₇NO₅ and the molecular weight is 221.17. It belongs to the following product categories which include Building Blocks; Coumarins; Heterocyclic Building Blocks and so on.

Physical properties about 2H-1-Benzopyran-2-one,7-hydroxy-4-methyl-8-nitro- are: (1)ACD/LogP: 3.39; (2)#H bond acceptors: 6; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 81.35 Å²; (6)Index of Refraction: 1.648; (7)Molar Refractivity: 52.89 cm³; (8)Molar Volume: 145.3 cm³; (9)Polarizability: 20.97x10^-24cm³; (10)Surface Tension: 65.9 dyne/cm; (11)Density: 1.521 g/cm³; (12)Flash Point: 197.2 °C; (13)Enthalpy of Vaporization: 67.91 kJ/mol; (14)Boiling Point: 402.5 °C at 760 mmHg; (15)Vapour Pressure: 4.69E-07 mmHg at 25 °C.

Preparation: this chemical can be prepared by 7-hydroxy-4-methyl-chromen-2-one. This reaction will need reagents of sulfuric acid, nitric acid.

2H-1-Benzopyran-2-one,7-hydroxy-4-methyl-8-nitro- can be prepared by 7-hydroxy-4-methyl-chromen-2-one.

Uses of 2H-1-Benzopyran-2-one,7-hydroxy-4-methyl-8-nitro-: it can be used to produce 4-methyl-11-nitro-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]-1-benzopyran-2-one with 2-bromo-cyclohexanone. This reaction will need reagent of K₂CO₃ and solvent of o-xylene. This reaction needs heating and the reaction time is 70 hours. The yield is about 35.65%.

2H-1-Benzopyran-2-one,7-hydroxy-4-methyl-8-nitro- can be used to produce produce 4-methyl-11-nitro-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]-1-benzopyran-2-one with 2-bromo-cyclohexanone.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed and irritating to eyes, respiratory system and skin. It can cause damage to health and inflammation to the skin or other mucous membranes. If you want to use this chemical, wear suitable protective clothing and gloves. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. It is stable under normal temperature and pressure. If you want to store it, you should keep the container tightly sealed in dry, cool places and avoid contact with oxide. Usually it is not harmful to water, if no official permission, do not put materials into the permission surroundings.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2c(O)ccc\1c2OC(=O)/C=C/1C
(2)InChI: InChI=1/C10H7NO5/c1-5-4-8(13)16-10-6(5)2-3-7(12)9(10)11(14)15/h2-4,12H,1H3
(3)InChIKey: BGUBUSIGKOWDPO-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C10H7NO5/c1-5-4-8(13)16-10-6(5)2-3-7(12)9(10)11(14)15/h2-4,12H,1H3
(5)Std. InChIKey: BGUBUSIGKOWDPO-UHFFFAOYSA-N