B82200

4-Bromotoluene

98%

Manufacturer: Sigma Aldrich

CAS Number: 106-38-7

Synonym(S): 1-Methyl-4-bromobenzene, 4-Bromo-1-methylbenzene, 4-Methyl-1-bromobenzene, 4-Methylbromobenzene, 4-Tolyl bromide, p-Bromo(methyl)benzene, p-Methylbromobenzene, p-Tolyl bromide

Select a Size

Pack Size SKU Availability Price
5 G B82200-5-G In Stock ₹ 3,074.30
100 G B82200-100-G In Stock ₹ 3,399.05
500 G B82200-500-G In Stock ₹ 9,915.70

B82200 - 5 G

₹ 3,074.30

In Stock

Quantity

1

Base Price: ₹ 3,074.30

GST (18%): ₹ 553.374

Total Price: ₹ 3,627.674

Quality Level

200

Assay

98%

form

solid

bp

184 °C (lit.)

mp

26-29 °C (lit.)

density

1.39 g/mL at 25 °C (lit.)

SMILES string

Cc1ccc(Br)cc1

InChI

1S/C7H7Br/c1-6-2-4-7(8)5-3-6/h2-5H,1H3

InChI key

ZBTMRBYMKUEVEU-UHFFFAOYSA-N

Other Options

Image Product Name Manufacturer Price Range
NC2193675
eMolecules​ 4-BROMOTOLUENE | 106-38-7 | MFCD00000109 | 25g
eMolecules​ ₹ 3,643.14
AB50134
106-38-7 | 4-Bromotoluene
A2B Chem ₹ 855.60 - ₹ 11,208.36

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Description

  • General description: 4-Bromotoluene is a p-substituted aryl bromide.[1] 4-Bromotoluene undergoes C-O coupling reaction with 2,4-dimethylphenol catalyzed by the CuI/K2CO3/phen system. Complexes [Cu(phen)(1-(2,4-dimethylphenoxy)-4-methylbenzene)]+, {H[Cu(phen)(2,4-dimethylphenoxy)]}+ and [Cu(2,4-dimethylphenoxy)2]- were reported as intermediates during the reaction by in situ electrospray ionization mass spectrometry (ESI-MS) analysis.[2] Suzuki coupling reaction of 4-bromotoluene and non-fluorescent phenylboronic acid (PBA) in the presence of palladium (II) acetate as a catalyst has been studied.[1] Palladium catalyzed C-N cross-coupling reaction of 4-bromotoluene with piperidine in a microstructured continuous reactor has been described.[3] 4-Bromotoluene has been reported to undergo Heck reaction with styrene in the presence of in situ generated palladium complexes of phosphine-functionalized N-heterocyclic carbene ligands.[4]
  • Application: 4-Bromotoluene was used in the synthesis of ketones by Cu/Pd-catalyzed decarboxylative cross-coupling reaction.[5]

SAFETY INFORMATION

Pictograms

GHS07,GHS09

Signal Word

Warning

Hazard Statements

H332,H411

Precautionary Statements

P261 - P271 - P273 - P304 + P340 + P312 - P391 - P501

Hazard Classifications

Acute Tox. 4 Inhalation - Aquatic Chronic 2

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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200

Assay:
98%

form:
solid

bp:
184 °C (lit.)

mp:
26-29 °C (lit.)

density:
1.39 g/mL at 25 °C (lit.)

SMILES string:
Cc1ccc(Br)cc1

InChI:
1S/C7H7Br/c1-6-2-4-7(8)5-3-6/h2-5H,1H3

InChI key:
ZBTMRBYMKUEVEU-UHFFFAOYSA-N

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NC(Cc1c[nH]c2ccc(Br)cc12)C(O)=O

InChI:
1S/C11H11BrN2O2/c12-7-1-2-10-8(4-7)6(5-14-10)3-9(13)11(15)16/h1-2,4-5,9,14H,3,13H2,(H,15,16)

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KZDNJQUJBMDHJW-UHFFFAOYSA-N

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O=C(N1OC(CBr)=O)CCC1=O

InChI:
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SMILES string:
OC(=O)CCCCCCCCCCBr

InChI:
1S/C11H21BrO2/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1-10H2,(H,13,14)

InChI key:
IUDGNRWYNOEIKF-UHFFFAOYSA-N