-
Name
4-FLUOROBENZYL ISOTHIOCYANATE
- EINECS 220-368-8
- CAS No. 2740-88-7
- Article Data13
- CAS DataBase
- Density 1.12 g/cm3
- Solubility
- Melting Point
- Formula C8H6FNS
- Boiling Point 250 °C at 760 mmHg
- Molecular Weight 167.207
- Flash Point 105 °C
- Transport Information UN 2810
- Appearance Yellow to brown liquid
- Safety 26-36/37/39
- Risk Codes 20/21/22-36/37/38
-
Molecular Structure
-
Hazard Symbols
C; 
T; 
Xi
- Synonyms Isothiocyanicacid, p-fluorobenzyl ester (7CI,8CI);1-(Isothiocyanatomethyl)-4-fluorobenzene;1-Fluoro-4-(isothiocyanatomethyl)benzene;4-Fluorobenzyl isothiocyanate;p-Fluorobenzyl isothiocyanate;Benzene, 1-fluoro-4-(isothiocyanatomethyl)-;
- PSA 44.45000
- LogP 2.42850
Benzene,1-fluoro-4-(isothiocyanatomethyl)- Specification
The Benzene,1-fluoro-4-(isothiocyanatomethyl)-, with the CAS registry number 2740-88-7 and EINECS registry number 220-368-8, has the systematic name and IUPAC name of 1-fluoro-4-(isothiocyanatomethyl)benzene. It is a kind of moisture chemical, and belongs to the product category of Phenyl isocyanate. And the molecular formula of the chemical is C8H6FNS.
The characteristics of Benzene,1-fluoro-4-(isothiocyanatomethyl)- are as followings: (1)ACD/LogP: 3.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.07; (4)ACD/LogD (pH 7.4): 3.07; (5)ACD/BCF (pH 5.5): 126.03; (6)ACD/BCF (pH 7.4): 126.03; (7)ACD/KOC (pH 5.5): 1109.53; (8)ACD/KOC (pH 7.4): 1109.53; (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: 1.545; (14)Molar Refractivity: 47.11 cm3; (15)Molar Volume: 148.9 cm3; (16)Polarizability: 18.67×10-24cm3; (17)Surface Tension: 33 dyne/cm; (18)Density: 1.12 g/cm3; (19)Flash Point: 105 °C; (20)Enthalpy of Vaporization: 46.75 kJ/mol; (21)Boiling Point: 250 °C at 760 mmHg; (22)Vapour Pressure: 0.0352 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1ccc(cc1)C/N=C=S
(2)InChI: InChI=1/C8H6FNS/c9-8-3-1-7(2-4-8)5-10-6-11/h1-4H,5H2
(3)InChIKey: LPVNPJMEWWUFHD-UHFFFAOYAU
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-
- 27409-30-9
- 2740-94-5
- 274-09-9
- 2741-16-4
- 27413-65-6
- 2741-38-0
- 2741-57-3
- 27417-40-9
- 27419-09-6
- 2742-27-0
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