CAS No.37630-20-9,TRANS-2 3-DIMETHOXY-BETA-NITROSTYRENE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	37630-20-9
Name:	TRANS-2 3-DIMETHOXY-BETA-NITROSTYRENE
Article Data:	9

Formula:	C₁₀H₁₁NO₄
Molecular Weight:	209.202
Synonyms:	Benzene,1,2-dimethoxy-3-(2-nitroethenyl)-, (E)-;(E)-1-(2,3-Dimethoxyphenyl)-2-nitroethene;(E)-2,3-Dimethoxy-b-Nitrostyrene;
Density:	1.197 g/cm³
Melting Point:	80-84 °C(lit.)
Boiling Point:	328.3 °C at 760 mmHg
Flash Point:	148.2 °C
Appearance:	UN 3077 9/PG 3
Hazard Symbols:	Xi; N
Risk Codes:	36-50/53
Safety:	26-36-60-61
PSA:	64.28000
LogP:	2.47440

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Specification

The Benzene,1,2-dimethoxy-3-[(1E)-2-nitroethenyl]-, with the CAS registry number 37630-20-9, has the systematic name of 1,2-dimethoxy-3-[(E)-2-nitroethenyl]benzene. It is also called 1,2-Dimethoxy-3-[(E)-2-nitrovinyl]benzene. And the molecular formula of the chemical is C₁₀H₁₁NO₄.

The characteristics of Benzene,1,2-dimethoxy-3-[(1E)-2-nitroethenyl]- are as followings: (1)ACD/LogP: 2.03; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 64.28 Å²; (7)Index of Refraction: 1.564; (8)Molar Refractivity: 56.88 cm³; (9)Molar Volume: 174.6 cm³; (10)Polarizability: 22.55×10^-24cm³; (11)Surface Tension: 41.1 dyne/cm; (12)Density: 1.197 g/cm³; (13)Flash Point: 148.2 °C; (14)Enthalpy of Vaporization: 54.8 kJ/mol; (15)Boiling Point: 328.3 °C at 760 mmHg; (16)Vapour Pressure: 0.000366 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes. It is also very toxic to aquatic organisms, and may cause long-term adverse effects in the aquatic environment. Therefore, you had better take the following instructions: This material and/or its container must be disposed of as hazardous waste; Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; Avoid release to the environment. Refer to special instructions safety data sheet.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [O-][N+](=O)\C=C\c1cccc(OC)c1OC
(2)InChI: InChI=1/C10H11NO4/c1-14-9-5-3-4-8(10(9)15-2)6-7-11(12)13/h3-7H,1-2H3/b7-6+
(3)InChIKey: OFJZSDMKKDTNHZ-VOTSOKGWBX