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Benzenamine,4-(methylthio)-2-nitro-

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Name

Benzenamine,4-(methylthio)-2-nitro-

EINECS N/A
CAS No. 23153-09-5 Density 1.35 g/cm3
PSA 97.14000 LogP 3.00330
Solubility N/A Melting Point N/A
Formula C7H8N2O2S Boiling Point 343.4 °C at 760 mmHg
Molecular Weight 184.219 Flash Point 161.5 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 23153-09-5 (4-(Methylsulfanyl)-2-nitroaniline) Hazard Symbols N/A
Synonyms

Aniline,4-(methylthio)-2-nitro- (6CI,8CI);1-Amino-2-nitro-4-methylthiobenzene;4-(Methylsulfanyl)-2-nitroaniline;4-(Methylthio)-2-nitroaniline;

Article Data 3

Benzenamine,4-(methylthio)-2-nitro- Specification

The Benzenamine,4-(methylthio)-2-nitro-, with the CAS registry number 23153-09-5, is also known as 1-Amino-2-nitro-4-methylthiobenzene. It belongs to the product category of Amines and Anilines. This chemical's molecular formula is C7H8N2O2S and molecular weight is 184.22. What's more, its systematic name is 4-(methylsulfanyl)-2-nitroaniline.

Physical properties of Benzenamine,4-(methylthio)-2-nitro- are: (1)ACD/LogP: 2.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.42; (4)ACD/LogD (pH 7.4): 2.42; (5)ACD/BCF (pH 5.5): 40.38; (6)ACD/BCF (pH 7.4): 40.38; (7)ACD/KOC (pH 5.5): 491.28; (8)ACD/KOC (pH 7.4): 491.28; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 74.36 Å2; (13)Index of Refraction: 1.641; (14)Molar Refractivity: 49.04 cm3; (15)Molar Volume: 135.8 cm3; (16)Polarizability: 19.44×10-24cm3; (17)Surface Tension: 61.8 dyne/cm; (18)Density: 1.35 g/cm3; (19)Flash Point: 161.5 °C; (20)Enthalpy of Vaporization: 58.72 kJ/mol; (21)Boiling Point: 343.4 °C at 760 mmHg; (22)Vapour Pressure: 7.06E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cc(SC)ccc1N
(2)InChI: InChI=1S/C7H8N2O2S/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4H,8H2,1H3
(3)InChIKey: LWFOZCFJVOGQAM-UHFFFAOYSA-N

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