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4-Chloro-2-fluorobenzenemethanol

4-Chloro-2-fluorobenzenemethanol structure

CAS No:
56456-49-6
Formula:
C7H6ClFO
Chemical Name:
4-Chloro-2-fluorobenzenemethanol
Synonyms:
Benzenemethanol,4-chloro-2-fluoro-;4-Chloro-2-fluorobenzenemethanol;4-Chloro-2-fluorobenzyl alcohol;(4-Chloro-2-fluorophenyl)methanol
Categories:
Organic Chemistry > Organic Fluorine Compound

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4-Chloro-2-fluorobenzenemethanol Basic Attributes

Molecular Weight：

160.57

Exact Mass：

160.57

DSSTox ID：

DTXSID20378591

HScode：

2906299090

Characteristics

PSA：

20.2

XLogP3：

1.8

Density：

1.344g/cm3

Boiling Point：

227.6°C at 760 mmHg

Flash Point：

91.4ºC

Refractive Index：

1.542

Safety Information

Hazard category：

IRRITANT

hazard class code：

36/37/38

safety instructions：

26-36/37/39

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Chloro-2-fluorobenzenemethanol Use and Manufacturing

1-(5-(4-Chloro-2-fluorobenzyloxy)pyridin-2-yl)-2-(2, 4-difluorophenyl)-1, 1-difluoro-3-(1H-tetrazol-1-yl)propan-2-ol (1)1-(Bromomethyl)-4-chloro-2-fluorobenzene was prepared using the following two-step procedure. To a stirred solution of 4-chloro-2-fluorobenzaldehyde (1.0 g, 6.31 mmol) in methyl alcohol (CHTo a solution of 4-chloro-2-fluorobenzoic acid (300mg) in THF (15m1) was added at 0°CLiAIH4 (130mg). The suspension was stirred at 0°C for 16h. The reaction mixture wasdiluted with EA and aq. solution of potassium sodium tartrate and stirred for lh at rt. The layers were separated and the org. phase was further washed with water. The combined org. layers were dried over MgSO4, filtrated off and evaporated in vacuo. The crude was purified by CC (Büchi Sepacore, 5g cartridge, solvent A: DCM, solvent B: 3N ammonia in MeOH, gradient in percentB: 0 to 5, flow rate: 6.0 mI/mm) to afford 224mg of colourless oil. LCMS: (A) tR = 0.68 mm; [M+H]: not visible.To a solution of 4-chloro-2-fluorobenzoic acid (300 mg) in THF (15 ml_) was added at 0°C UAIHTo a solution of 4-chloro-2-fluorobenzoic acid (300mg) in THF (15ml) was added at 0°C UAIH4 (130mg). The suspension was stirred at 0°C for 16h. The reaction mixture was diluted with EA and aq. solution of potassium sodium tartrat and stirred for 1 h at rt. The layers were separated and the org. phase was further washed with water. The combined org. layers were dried over MgS04, filtrated off and evaporated in vacuo. The crude was purified by CC (Buchi Sepacore, 5g cartridge, solvent A: DCM, solvent B: 3N ammonia in MeOH, gradient in percentB: 0 to 5, flow rate: 6.0 ml/min) to afford 224mg of colourless oil. LC-MS (A) tR = 0.68min; [M+H]+: not visible.

Computed Properties

Molecular Weight:160.57
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:160.0091207
Monoisotopic Mass:160.0091207
Topological Polar Surface Area:20.2
Heavy Atom Count:10
Complexity:110
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 56456-49-6

Content: 99.00%

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4-chloro-2-fluorobenzyl alcohol CAS 56456-49-6

CAS No.: 56456-49-6

Grade: Pharmaceutical Grade

Content: 99%

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Latest News on 4-Chloro-2-fluorobenzenemethanol

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Guide of 4-Chloro-2-fluorobenzenemethanol

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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4-Chloro-2-fluorobenzenemethanol

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