Benzenamine,2,2'-[1,2-ethanediylbis(thio)]bis- supplier

Name
2,2'-(ethylenedithio)dianiline
EINECS 257-901-9
CAS No. 52411-33-3
Article Data25
CAS DataBase
Density 1.26 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₆N₂S₂
Boiling Point 452.5 °C at 760 mmHg
Molecular Weight 276.426
Flash Point 227.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Aniline,2,2'-(ethylenedithio)di- (6CI);1,2-Bis(o-aminophenylthio)ethane;1,2-Bis[2-aminophenylthio]ethane;1,2-Di(o-aminophenylthio)ethane;2,2'-(Ethylenedithio)dianiline;Bis(o-Aminophenylthio)ethane;Cyanacure;CCRIS 3551;CCRIS 7519;2,2'-(Ethylenedithio)dianiline;BRN 2739761;
PSA 102.64000
LogP 4.89780

Benzenamine,2,2'-[1,2-ethanediylbis(thio)]bis- Toxicity Data With Reference

mmo-sat 100 µg/plate

CRNGDP Carcinogenesis. 10 (1989),2119.

Benzenamine,2,2'-[1,2-ethanediylbis(thio)]bis- Consensus Reports

Reported in EPA TSCA Inventory.

Benzenamine,2,2'-[1,2-ethanediylbis(thio)]bis- Safety Profile

Mutation data reported. When heated to decomposition it emits toxic vapors of NO_x and SO_x.

Benzenamine,2,2'-[1,2-ethanediylbis(thio)]bis- Specification

The Benzenamine,2,2'-[1,2-ethanediylbis(thio)]bis- with CAS registry number of 52411-33-3 is also known as 2,2'-(1,2-Ethanediylbis(thio))bisbenzenamine. The IUPAC name is 2-[2-(2-Aminophenyl)sulfanylethylsulfanyl]aniline. It belongs to product categories of Amines; Phenyls & Phenyl-Het. Its EINECS registry number is 257-901-9. In addition, the formula is C₁₄H₁₆N₂S₂ and the molecular weight is 276.42.

Physical properties about Benzenamine,2,2'-[1,2-ethanediylbis(thio)]bis- are: (1)ACD/LogP: 1.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.98; (4)ACD/LogD (pH 7.4): 1.99; (5)ACD/BCF (pH 5.5): 18.85; (6)ACD/BCF (pH 7.4): 19.07; (7)ACD/KOC (pH 5.5): 283.76; (8)ACD/KOC (pH 7.4): 287.17; (9)#H bond acceptors: 2; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 57.08Å²; (13)Index of Refraction: 1.697; (14)Molar Refractivity: 83.98 cm³; (15)Molar Volume: 217.8 cm³; (16)Polarizability: 33.29×10^-24cm³; (17)Surface Tension: 64.9 dyne/cm; (18)Density: 1.26 g/cm³; (19)Flash Point: 227.5 °C; (20)Enthalpy of Vaporization: 71.18 kJ/mol; (21)Boiling Point: 452.5 °C at 760 mmHg; (22)Vapour Pressure: 2.23E-08 mmHg at 25 °C

You can still convert the following datas into molecular structure:
1. SMILES: S(c1ccccc1N)CCSc2ccccc2N
2. InChI: InChI=1/C14H16N2S2/c15-11-5-1-3-7-13(11)17-9-10-18-14-8-4-2-6-12(14)16/h1-8H,9-10,15-16H2
3. InChIKey: BSYVFGQQLJNJJG-UHFFFAOYAL
4. Std. InChI: InChI=1S/C14H16N2S2/c15-11-5-1-3-7-13(11)17-9-10-18-14-8-4-2-6-12(14)16/h1-8H,9-10,15-16H2
5. Std. InChIKey: BSYVFGQQLJNJJG-UHFFFAOYSA-N

Product Name

2,2'-(ethylenedithio)dianiline

Benzenamine,2,2'-[1,2-ethanediylbis(thio)]bis- Toxicity Data With Reference

Benzenamine,2,2'-[1,2-ethanediylbis(thio)]bis- Consensus Reports

Benzenamine,2,2'-[1,2-ethanediylbis(thio)]bis- Safety Profile

Benzenamine,2,2'-[1,2-ethanediylbis(thio)]bis- Specification

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