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4-Bromo-2-fluorotoluene

4-Bromo-2-fluorotoluene structure

CAS No:
51436-99-8
Formula:
C7H6BrF
Chemical Name:
4-Bromo-2-fluorotoluene
Synonyms:
Benzene,4-bromo-2-fluoro-1-methyl-;4-Bromo-2-fluoro-1-methylbenzene;2-Fluoro-4-bromotoluene;4-Bromo-2-fluorotoluene;1-Bromo-3-fluoro-4-methylbenzene
Categories:
Organic Chemistry > Organic Fluorine Compound

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Description

colorless to light yellow liqui

4-Bromo-2-fluorotoluene Basic Attributes

Molecular Weight：

189.02

Exact Mass：

189.02

BRN：

1859028

EC Number：

257-201-3

DSSTox ID：

DTXSID30199411

HScode：

2903999090

Characteristics

PSA：

XLogP3：

3.1

Appearance：

colorless to light yellow liquid

Density：

1.5±0.1 g/cm3

Boiling Point：

68 °C (8 mmHg)

Flash Point：

169 °F

Refractive Index：

1.527

Water Solubility：

H2O: INsoluble

Storage Conditions：

Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container.

Safety Information

Hazard category：

IRRITANT

Transport codes：

UN 2810

wgk germany：

hazard class code：

22-36/37/38-52/53

safety instructions：

26-61-37/39

Marks：

Xn,Xi

Hazard note：

Irritant

Stability/Shelf Life：

Has not been fully evaluated.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H302-H315-H319-H335

GHS Classification：

|Warning|H302 (85.11%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 47 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Bromo-2-fluorotoluene Use and Manufacturing

Methods of Manufacturing

25g (132.3mmol, 1.0eq), AIBN 521mg (3.2mmol, 0.024eq), Co(OAc)2·4H2O 1.6g (6.5mmol, 0.049eq), NaBr 449mg (4.4mmol, 0.033eq), dissolved in HOAc 250mL (10V), stirred for total use, the temperature of the reaction coil outside the bath is raised To 130 C, The coil pressure was adjusted to 1.2 MPa with oxygen, and the batching was started. The residence time of the system was 1.5 h and the oxygen was 3 to 5 eq.The system was directly pumped into 375 mL of purified water, the pH of the system was adjusted to 12-14 with NaOH solids, and the aqueous phase was extracted twice with 125 mL of MTBE.The aqueous phase was adjusted to pH 1 with concentrated HCl, and a large amount of solid precipitated.Filtration gave the target product 25.5 g, yield 88%.

Uses

The product is an intermediate for the synthesis of fine chemical products such as medicines and pesticides.

Computed Properties

Molecular Weight:189.02
XLogP3:3.1
Hydrogen Bond Acceptor Count:1
Exact Mass:187.96369
Monoisotopic Mass:187.96369
Heavy Atom Count:9
Complexity:94.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 51436-99-8

Grade: Industrial Grade

Content: 99%

Inquiry