Benzaldehyde, 2-[(4-methylphenyl)thio]-5-nitro- supplier

Name
2-[(4-METHYLPHENYL)THIO]-5-NITROBENZALDEHYDE
EINECS
CAS No. 175278-42-9
Article Data1
CAS DataBase
Density 1.33 g/cm³
Solubility
Melting Point 157 °C
Formula C₁₄H₁₁NO₃S
Boiling Point 429.2 °C at 760 mmHg
Molecular Weight 273.312
Flash Point 213.4 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Benzaldehyde,5-nitro-2-p-tolylmercapto- (4CI);2-(4-Methylphenylthio)-5-nitrobenzaldehyde;
PSA 88.19000
LogP 4.39010

Benzaldehyde, 2-[(4-methylphenyl)thio]-5-nitro- Specification

This chemical is called Benzaldehyde, 2-[(4-methylphenyl)thio]-5-nitro-, and its systematic name is 2-[(4-methylphenyl)sulfanyl]-5-nitrobenzaldehyde. With the molecular formula of C₁₄H₁₁NO₃S, its molecular weight is 273.31. The CAS registry number of this chemical is 175278-42-9.

Other characteristics of the Benzaldehyde, 2-[(4-methylphenyl)thio]-5-nitro- can be summarised as followings: (1)ACD/LogP: 4.48; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 88.19 Å²; (7)Index of Refraction: 1.652; (8)Molar Refractivity: 75.09 cm³; (9)Molar Volume: 205.1 cm³; (10)Polarizability: 29.77×10^-24cm³; (11)Surface Tension: 60.5 dyne/cm; (12)Density: 1.33 g/cm³; (13)Flash Point: 213.4 °C; (14)Enthalpy of Vaporization: 68.45 kJ/mol; (15)Boiling Point: 429.2 °C at 760 mmHg; (16)Vapour Pressure: 1.43E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: [O-][N+](=O)c2ccc(Sc1ccc(cc1)C)c(c2)C=O
2.InChI: InChI=1/C14H11NO3S/c1-10-2-5-13(6-3-10)19-14-7-4-12(15(17)18)8-11(14)9-16/h2-9H,1H3
3.InChIKey: UTYFHCKVUPSOLA-UHFFFAOYAV

Product Name

2-[(4-METHYLPHENYL)THIO]-5-NITROBENZALDEHYDE

Benzaldehyde, 2-[(4-methylphenyl)thio]-5-nitro- Specification

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