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59189-97-8

Basic Information
CAS No.: 59189-97-8
Name: Benzoyl chloride,3-fluoro-4-methyl-
Article Data: 9
Cas Database
Molecular Structure:
Molecular Structure of 59189-97-8 (Benzoyl chloride,3-fluoro-4-methyl-)
Formula: C8H6ClFO
Molecular Weight: 172.586
Synonyms: 3-Fluoro-4-methylbenzoylchloride;4-Methyl-3-fluorobenzoyl chloride;
EINECS: -0
Density: 1.265 g/cm3
Melting Point: N/A
Boiling Point: 223.4 °C at 760 mmHg
Flash Point: 88.9 °C
Solubility: N/A
Appearance: clear yellow liquid
Hazard Symbols: CorrosiveC
Risk Codes: 34-29-14
Safety: 45-36/37/39-26
Transport Information: N/A
PSA: 17.07000
LogP: 2.51310
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Specification

The Benzoyl chloride,3-fluoro-4-methyl-, with the CAS registry number 59189-97-8, is also known as 3-Fluoro-p-toluoyl chloride. It belongs to the product categories of Acidhalide; Aromatic Halides (substituted). This chemical's molecular formula is C8H6ClFO and molecular weight is 172.584. What's more, both its IUPAC name and systematic name are the same which is called 3-Fluoro-4-methylbenzoyl chloride.

Physical properties about Benzoyl chloride,3-fluoro-4-methyl- are: (1)ACD/LogP: 2.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.92; (4)ACD/LogD (pH 7.4): 2.92; (5)ACD/BCF (pH 5.5): 97.93; (6)ACD/BCF (pH 7.4): 97.93; (7)ACD/KOC (pH 5.5): 926.22; (8)ACD/KOC (pH 7.4): 926.22; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.518; (14)Molar Refractivity: 41.31 cm3; (15)Molar Volume: 136.3 cm3; (16)Polarizability: 16.37×10-24cm3; (17)Surface Tension: 36.8 dyne/cm; (18)Density: 1.265 g/cm3; (19)Flash Point: 88.9 °C; (20)Enthalpy of Vaporization: 45.99 kJ/mol; (21)Boiling Point: 223.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0963 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it destroys living tissue on contact. In addition, this chemical may cause burns. What's more, contact with water liberates toxic gas. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, In case of accident or if you feel unwell, you should seek medical advice immediately (show the label where possible). In addition, it reacts violently with water, so it must be stored in airtight containers and placed in a well-ventilated place.

Use of Benzoyl chloride,3-fluoro-4-methyl-: it is used to produce other chemicals. For example, it is used to produce 3-fluoro-4-methylbenzonitrile. The reaction occurs with reagents Et3N, Ttrichloroacetyl Chloride and other condition of heating for 1 hour. The yield is 100 %.

Benzoyl chloride,3-fluoro-4-methyl- is used to produce 3-fluoro-4-methylbenzonitrile

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cc(C(Cl)=O)ccc1C
(2) InChI: InChI=1/C8H6ClFO/c1-5-2-3-6(8(9)11)4-7(5)10/h2-4H,1H3
(3) InChIKey: DPWCZSXNEGNALT-UHFFFAOYAD