CAS No.61535-21-5,1-BENZYLOXY-3-METHYL-2-NITROBENZENE 98 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	61535-21-5
Name:	1-BENZYLOXY-3-METHYL-2-NITROBENZENE 98
Article Data:	12

Formula:	C₁₄H₁₃NO₃
Molecular Weight:	243.262
Synonyms:	1-Benzyloxy-3-methyl-2-nitrobenzene;2-Nitro-3-benzyloxytoluene;3-Benzyloxy-2-nitrotoluene;
Density:	1.202 g/cm³
Melting Point:	36 °C
Boiling Point:	390.6 °C at 760 mmHg
Flash Point:	170.6 °C
PSA:	55.05000
LogP:	4.00540

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Specification

The Benzene, 1-methyl-2-nitro-3-(phenylmethoxy)-, with the CAS registry number of 61535-21-5, is also known as 3-Benzyloxy-2-nitrotoluene. It belongs to the product categories of Nitro Compounds; Nitrogen Compounds; Organic Building Blocks. This chemical's molecular formula is C₁₄H₁₃NO₃ and molecular weight is 243.261. What's more, its systematic name is called 1-(Benzyloxy)-3-methyl-2-nitrobenzene In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about Benzene, 1-methyl-2-nitro-3-(phenylmethoxy)- are: (1)ACD/LogP: 3.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.85; (4)ACD/LogD (pH 7.4): 3.85; (5)ACD/BCF (pH 5.5): 492.65; (6)ACD/BCF (pH 7.4): 492.65; (7)ACD/KOC (pH 5.5): 2943.9; (8)ACD/KOC (pH 7.4): 2943.9; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 55.05 Å²; (13)Index of Refraction: 1.595; (14)Molar Refractivity: 68.78 cm³; (15)Molar Volume: 202.2 cm³; (16)Polarizability: 27.27×10^-24 cm³; (17)Surface Tension: 46.8 dyne/cm; (18)Density: 1.202 g/cm³; (19)Flash Point: 170.6 °C; (20)Enthalpy of Vaporization: 61.51 kJ/mol; (21)Boiling Point: 390.6 °C at 760 mmHg; (22)Vapour Pressure: 5.87E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c2c(cccc2OCc1ccccc1)C
(2) InChI: InChI=1/C14H13NO3/c1-11-6-5-9-13(14(11)15(16)17)18-10-12-7-3-2-4-8-12/h2-9H,10H2,1H3
(3) InChIKey: ZUMJNYJMXBJJIC-UHFFFAOYAB