1,3-Benzenediacetonitrile, 2-fluoro- supplier

Name
2-FLUOROBENZENE-1,3-DIACETONITRILE
EINECS
CAS No. 175136-84-2
Density 1.192 g/cm³
Solubility
Melting Point 75 °C
Formula C₁₀H₇FN₂
Boiling Point 327.5 °C at 760 mmHg
Molecular Weight 174.17
Flash Point 151.9 °C
Transport Information
Appearance
Safety 36/37/39-45
Risk Codes 23/24/25
Molecular Structure
Hazard Symbols T
Synonyms 2-FLUOROBENZENE-1,3-DIACETONITRILE;2-[3-(CYANOMETHYL)-2-FLUOROPHENYL]ACETONITRILE;1,3-BIS(CYANOMETHYL)-2-FLUOROBENZENE;1,3-Bis(cyanomethyl)-2-fluorobenzene 97%;1,3-Bis(cyanomethyl)-2-fluorobenzene97%;2,2-(2-Fluoro-1,3-phenylene)diacetonitrile;2-[3-(CYANOMETHYL)-2-FLUOROPHENYL]ACETONITRILE 2-FLUOROBENZENE-1,3-DIACETONITRILE
PSA 47.58000
LogP 1.95786

1,3-Benzenediacetonitrile, 2-fluoro- Specification

This chemical is called 1,3-Benzenediacetonitrile, 2-fluoro-, and its systematic name is 2,2'-(2-fluorobenzene-1,3-diyl)diacetonitrile. With the molecular formula of C₁₀H₇FN₂, its molecular weight is 174.17. The CAS registry number of this chemical is 175136-84-2.

Other characteristics of the 1,3-Benzenediacetonitrile, 2-fluoro- can be summarised as followings: (1)ACD/LogP: 0.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.73; (4)ACD/LogD (pH 7.4): 0.73; (5)ACD/BCF (pH 5.5): 2.12; (6)ACD/BCF (pH 7.4): 2.12; (7)ACD/KOC (pH 5.5): 59.55; (8)ACD/KOC (pH 7.4): 59.55; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 47.58 Å²; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 45.17 cm³; (15)Molar Volume: 146 cm³; (16)Polarizability: 17.9×10^-24cm³; (17)Surface Tension: 47.8 dyne/cm; (18)Density: 1.192 g/cm³; (19)Flash Point: 151.9 °C; (20)Enthalpy of Vaporization: 56.98 kJ/mol; (21)Boiling Point: 327.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000202 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is toxic by inhalation, in contact with skin and if swallowed. 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: Fc1c(cccc1CC#N)CC#N
2.InChI: InChI=1/C10H7FN2/c11-10-8(4-6-12)2-1-3-9(10)5-7-13/h1-3H,4-5H2
3.InChIKey: JUBROZINNOMDLD-UHFFFAOYAQ

Product Name

2-FLUOROBENZENE-1,3-DIACETONITRILE

1,3-Benzenediacetonitrile, 2-fluoro- Specification

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