Product
Supplier
Encyclopedia
Inquiry
Home > Encyclopedia > 2-Bromo-1-chloro-4-methylbenzene

2-Bromo-1-chloro-4-methylbenzene

2-Bromo-1-chloro-4-methylbenzene structure

2-Bromo-1-chloro-4-methylbenzene 

structure
  • CAS No:

    57310-39-1

  • Formula:

    C7H6BrCl

  • Chemical Name:

    2-Bromo-1-chloro-4-methylbenzene

  • Synonyms:

    Benzene,2-bromo-1-chloro-4-methyl-;Toluene,3-bromo-4-chloro-;2-Bromo-1-chloro-4-methylbenzene;3-Bromo-4-chlorotoluene;NSC 139876

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

2-Bromo-1-chloro-4-methylbenzene Basic Attributes

205.48

205.48

139876

DTXSID40300899

2903999090

Characteristics

0

3.6

1.5±0.1 g/cm3

112 °C

104.5±11.9 °C

1.566

Room temperature.

Safety Information

IRRITANT

3

22-51/53

61

Xi,N,Xn

Irritant

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

H302+H312+H332

|Warning|H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Bromo-1-chloro-4-methylbenzene Use and Manufacturing

General procedure: To a mixture of tert-butyl nitrite (48 mmol, 6.34 mL) and anhydrous copper (II) chloride (60 mmol, 8.07 g) in dry acetonitrile (100 mL) at 65 °C, amine 4 or 6 (30 mmol) was added slowly under vigorous stirring for 30 min. The mixture was then stirred at 65 °C for 2 h. Upon cooling, the mixture was poured into 20percent hydrochloric acid (400 mL) and extracted with diethyl ether (3×120 mL). The combined organic phases were washed with brine (100 mL), dried over anhydrous Na2SO4 and evaporated. Raw product was purified by flash column chromatography.

Computed Properties

Molecular Weight:205.48
XLogP3:3.6
Exact Mass:203.93414
Monoisotopic Mass:203.93414
Heavy Atom Count:9
Complexity:94.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 2-Bromo-1-chloro-4-methylbenzene

Scan the QR Code to Share

Feedback & Suggestions
Send Message

Thank you for your feedback. If you require further assistance, please contact us by email at info@echemi.com or call us at +86-532-55729510.