-
Name
4-FLUORO-ALPHA-METHYLBENZYL ISOTHIOCYANATE
- EINECS -0
- CAS No. 182565-27-1
- Article Data3
- CAS DataBase
- Density 1.1 g/cm3
- Solubility
- Melting Point
- Formula C9H8FNS
- Boiling Point 248.4 °C at 760 mmHg
- Molecular Weight 181.234
- Flash Point 104 °C
- Transport Information 2810
- Appearance colorless liquid
- Safety 26-36/37/39
- Risk Codes 20/21/22-36/37/38
-
Molecular Structure
-
Hazard Symbols
C,
T
- Synonyms 1-(4-Fluorophenyl)ethylisothiocyanate;
- PSA 44.45000
- LogP 2.98950
Benzene, 1-fluoro-4-(1-isothiocyanatoethyl)- Specification
This chemical is called Benzene, 1-fluoro-4-(1-isothiocyanatoethyl)-, and its systematic name is 1-fluoro-4-(1-isothiocyanatoethyl)benzene. With the molecular formula of C9H8FNS, its molecular weight is 181.23. The CAS registry number of this chemical is 181.23. In addition, this chemical should be sealed in the cool and dry place, away from oxides, water or alcohol.
Other characteristics of the Benzene, 1-fluoro-4-(1-isothiocyanatoethyl)- can be summarised as followings: (1)ACD/LogP: 3.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.41; (4)ACD/LogD (pH 7.4): 3.41; (5)ACD/BCF (pH 5.5): 231.48; (6)ACD/BCF (pH 7.4): 231.48; (7)ACD/KOC (pH 5.5): 1714.44; (8)ACD/KOC (pH 7.4): 1714.44; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 44.45 Å2; (13)Index of Refraction: 1.539; (14)Molar Refractivity: 51.53 cm3; (15)Molar Volume: 164.2 cm3; (16)Polarizability: 20.43×10-24cm3; (17)Surface Tension: 31.1 dyne/cm; (18)Density: 1.1 g/cm3; (19)Flash Point: 104 °C; (20)Enthalpy of Vaporization: 46.59 kJ/mol; (21)Boiling Point: 248.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0383 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Fc1ccc(cc1)C(/N=C=S)C
2.InChI: InChI=1/C9H8FNS/c1-7(11-6-12)8-2-4-9(10)5-3-8/h2-5,7H,1H3
3.InChIKey: JXMBAXGHCKMDES-UHFFFAOYAF
Related Products
- Benzene
- Benzene, (10-bromodecyl)-
- Benzene,1,1',1'',1'''-(oxydimethylidyne)tetrakis-
- Benzene,1,1',1'',1'''-silanetetrayltetrakis-
- Benzene,1,1',1'',1'''-silanetetrayltetrakis[4-methyl-
- Benzene,1,1'-[1,2-bis(methylene)-1,2-ethanediyl]bis-
- Benzene,1,1'-(1,2-cyclopropanediyl)bis-
- Benzene,1,1'-(1,2-ethanediyl)bis(2,4-dinitro-)
- Benzene,1,1'-(1,2-ethanediyl)bis[2-methyl-
- Benzene,1,1'-(1,2-ethanediyl)bis[4-methyl-
- 1825-68-9
- 1825-82-7
- 18259-15-9
- 18260-60-1
- 18260-66-7
- 18260-69-0
- 1826-11-5
- 1826-12-6
- 1826-13-7
- 1826-16-0
Hot Products
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View