ChemicalBook > CAS DataBase List > 3-BROMO-5-CHLOROTOLUENE

3-BROMO-5-CHLOROTOLUENE

Product Name
3-BROMO-5-CHLOROTOLUENE
CAS No.
329944-72-1
Chemical Name
3-BROMO-5-CHLOROTOLUENE
Synonyms
3-bromo-5-chlorotlouene;3-BROMO-5-CHLOROTOLUENE;3-Bromo-5-chlorotoluene 98%;3-Chloro-5-methyl-bromobenzene;1-BROMO-3-CHLORO-5-METHYLBENZENE;Benzene,1-bromo-3-chloro-5-methyl-
CBNumber
CB3442861
Molecular Formula
C7H6BrCl
Formula Weight
205.48
MOL File
329944-72-1.mol
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3-BROMO-5-CHLOROTOLUENE Property

Melting point:
25℃
Boiling point:
222.3±20.0℃ (760 Torr)
Density 
1.535±0.06 g/cm3 (20 ºC 760 Torr)
Flash point:
101.5±11.9℃
storage temp. 
Sealed in dry,Room Temperature
solubility 
Chloroform, Ethyl Acetate
form 
Solid
color 
Pale Yellow
InChI
InChI=1S/C7H6BrCl/c1-5-2-6(8)4-7(9)3-5/h2-4H,1H3
InChIKey
YRIKDGJWRMHTJP-UHFFFAOYSA-N
SMILES
C1(Br)=CC(C)=CC(Cl)=C1
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Safety

Hazard Codes 
Xi,Xn
Risk Statements 
22
Hazard Note 
Irritant
HS Code 
2903998090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P271Use only outdoors or in a well-ventilated area.

P280Wear protective gloves/protective clothing/eye protection/face protection.

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N-Bromosuccinimide Price

TRC
Product number
B682490
Product name
3-Bromo-5-chlorotoluene
Packaging
10g
Price
$130
Updated
2021/12/16
TRC
Product number
B682490
Product name
3-Bromo-5-chlorotoluene
Packaging
100g
Price
$375
Updated
2021/12/16
Apolloscientific
Product number
OR3493
Product name
3-Bromo-5-chlorotoluene
Purity
98%
Packaging
5g
Price
$21
Updated
2021/12/16
Apolloscientific
Product number
OR3493
Product name
3-Bromo-5-chlorotoluene
Purity
98%
Packaging
10g
Price
$37
Updated
2021/12/16
Matrix Scientific
Product number
119444
Product name
1-Bromo-3-chloro-5-methylbenzene
Purity
95+%
Packaging
1g
Price
$54
Updated
2021/12/16
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3-BROMO-5-CHLOROTOLUENE Chemical Properties,Usage,Production

Uses

3-Bromo-5-chlorotoluene is a reagent used in the synthesis of novel benzophenones towards the discovery of potent, next generation HIV nonnucleoside reverse transcriptase inhibitors.

Synthesis

135340-78-2

329944-72-1

2-Bromo-6-chloro-4-methylaniline (30 mmol) was used as a starting material, which was dissolved in a mixed solution of acetic acid (60 mL), water (25 mL), and concentrated hydrochloric acid (7 mL), and the reaction system was subsequently cooled to 5 °C. A solution of sodium nitrite (48 mmol, 3.31 g) in water (12 mL) was added slowly and dropwise while keeping the temperature below 5 °C. After the dropwise addition, the reaction mixture was continued to be stirred at 5-10 °C for 2 hours. Subsequently, the reaction solution was poured into a 50% hypophosphite solution pre-cooled to 0 °C and stirred for 48 h at room temperature. Upon completion of the reaction, extraction was carried out with dichloromethane (3 x 120 mL). The organic phases were combined, washed with saturated saline (100 mL), dried over anhydrous sodium sulfate, and concentrated under reduced pressure to remove the solvent. Finally, the residue was purified by fast column chromatography to obtain the target product 3-bromo-5-chlorotoluene.

References

[1] Bioorganic and Medicinal Chemistry Letters, 2016, vol. 26, # 22, p. 5568 - 5572
[2] Journal of Medicinal Chemistry, 2001, vol. 44, # 12, p. 1866 - 1882
[3] Journal of Medicinal Chemistry, 2001, vol. 44, # 12, p. 1866 - 1882

3-BROMO-5-CHLOROTOLUENE Preparation Products And Raw materials

Raw materials

Preparation Products

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3-BROMO-5-CHLOROTOLUENE Suppliers

Beijing Jinrui Meixiang Technology Co., Ltd
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