CAS No.456-19-9,4-FLUOROBENZAL CHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	456-19-9
Name:	4-FLUOROBENZAL CHLORIDE
Article Data:	14

Formula:	C₇H₅Cl₂F
Molecular Weight:	179.021
Synonyms:	Toluene,a,a-dichloro-p-fluoro- (6CI,7CI,8CI);1-(Dichloromethyl)-4-fluorobenzene;4-Fluorobenzal chloride;NSC 60716;p-Fluorobenzal chloride;a,a-Dichloro-4-fluorotoluene;
EINECS:	207-258-5
Density:	1.341 g/cm3
Boiling Point:	203.6 °C at 760 mmHg
Flash Point:	82.6 °C
Appearance:	CLEAR LIGHT YELLOW TO GREEN LIQUID
Hazard Symbols:	C
Risk Codes:	20/21/22-34-36/37
Safety:	26-27-36/37/39-45
PSA:	0.00000
LogP:	3.30190

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Specification

The Benzene,1-(dichloromethyl)-4-fluoro-, with CAS registry number 456-19-9, has the systematic name of 1-(dichloromethyl)-4-fluorobenzene. This chemical is a kind of clear light yellow to green liquid. And this chemical should be stored in a cool, dry place. And the chemical formula of this chemical is C₇H₅Cl₂F.

Physical properties of Benzene,1-(dichloromethyl)-4-fluoro-: (1)ACD/LogP: 2.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.7; (4)ACD/LogD (pH 7.4): 2.7; (5)ACD/BCF (pH 5.5): 66.17; (6)ACD/BCF (pH 7.4): 66.17; (7)ACD/KOC (pH 5.5): 699.59; (8)ACD/KOC (pH 7.4): 699.59; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.524; (14)Molar Refractivity: 40.86 cm³; (15)Molar Volume: 133.4 cm³; (16)Polarizability: 16.19×10^-24cm³; (17)Surface Tension: 35.9 dyne/cm; (18)Enthalpy of Vaporization: 42.19 kJ/mol; (19)Vapour Pressure: 0.392 mmHg at 25°C

Preparation: this chemical can be prepared by 4-fluoro-benzaldehyde. This reaction will need reagent PCl₅.

When you are using this chemical, please be cautious about it as the following:
The Benzene,1-(dichloromethyl)-4-fluoro- irritates to eyes, respiratory system and skin. This chemical is harmful by inhalation, in contact with skin and if swallowed. And it may cause burns. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(Cl)c1ccc(F)cc1
(2)InChI: InChI=1/C7H5Cl2F/c8-7(9)5-1-3-6(10)4-2-5/h1-4,7H
(3)InChIKey: MFIOEEWGBMJNGG-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C7H5Cl2F/c8-7(9)5-1-3-6(10)4-2-5/h1-4,7H
(5)Std. InChIKey: MFIOEEWGBMJNGG-UHFFFAOYSA-N