ChemicalBook--->CAS DataBase List--->39478-78-9

39478-78-9

39478-78-9 Structure

39478-78-9 Structure
IdentificationMore
[Name]

5-Bromo-2-methylaniline
[CAS]

39478-78-9
[Synonyms]

2-AMINO-4-BROMOTOLUENE
5-BROMO-2-METHYLANILINE
5-BROMO-O-TOLUIDINE
2-Amino-4-Bromotoluene 5-Bromo-2-Methylaniline
2-Methyl-5-Bromoaniline99%
2-Methyl-5-Bromoaniline 99%
5-Bromo-2-Methyl
2-Methyl-5-bromoaniline
3-Bromo-6-methylaniline
5-Bromo-2-methylphenylamine
2-Methyl-5-bromo-1-benzenamine
[EINECS(EC#)]

254-467-2
[Molecular Formula]

C7H8BrN
[MDL Number]

MFCD00800678
[Molecular Weight]

186.05
[MOL File]

39478-78-9.mol
Chemical PropertiesBack Directory
[Appearance]

clear yellow to brown liquid after melting
[Melting point ]

33 °C(lit.)
[Boiling point ]

139 °C17 mm Hg(lit.)
[density ]

1.49 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.614(lit.)
[Fp ]

>230 °F
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[form ]

Liquid After Melting
[pka]

3.38±0.10(Predicted)
[color ]

Clear yellow to brown
[InChI]

1S/C7H8BrN/c1-5-2-3-6(8)4-7(5)9/h2-4H,9H2,1H3
[InChIKey]

RXQNKKRGJJRMKD-UHFFFAOYSA-N
[SMILES]

Cc1ccc(Br)cc1N
[CAS DataBase Reference]

39478-78-9(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H312-H315-H319-H332-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[Hazard Note ]

Harmful/Irritant
[HS Code ]

29214300
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

5-Bromo-2-methylaniline(39478-78-9).msds
Hazard InformationBack Directory
[Chemical Properties]

clear yellow to brown liquid after melting
[Uses]

In industrial applications, 5-bromo-2-methylaniline is often used as a chemical intermediate for the synthesis of drugs, dyes or other chemicals.
[Synthesis]

4-Bromo-2-nitrotoluene

60956-26-5

5-Bromo-2-methylaniline

39478-78-9

The general procedure for the synthesis of 2-amino-4-bromotoluene from 4-bromo-2-nitrotoluene was as follows: first, 4-bromo-1-methyl-2-nitrobenzene (5 g, 23.14 mmol, 1.00 eq.), ethyl acetate (100 mL), and SnCl2-H2O (20 g) were added to a 250 mL round-bottom flask. The reaction mixture was stirred at 30 °C overnight. Upon completion of the reaction, the pH of the reaction solution was adjusted to 10 with 5 mol/L sodium hydroxide solution.Subsequently, the reaction solution was extracted with ethyl acetate (3 x 30 mL) and the organic layers were combined. The organic phase was sequentially washed with brine (3 × 50 mL), dried over anhydrous sodium sulfate and finally concentrated under reduced pressure. After the above steps, 4 g (93% yield) of 5-bromo-2-methylaniline was obtained as a brown oily product.

[References]

[1] Organic and Biomolecular Chemistry, 2013, vol. 11, # 19, p. 3116 - 3127
[2] Patent: US2015/366198, 2015, A1. Location in patent: Paragraph 0132
[3] Journal of Medicinal Chemistry, 2004, vol. 47, # 26, p. 6603 - 6608
[4] Patent: WO2003/99824, 2003, A1. Location in patent: Page 23
[5] Patent: US6337351, 2002, B1. Location in patent: Example 14
Spectrum DetailBack Directory
[Spectrum Detail]

5-Bromo-2-methylaniline(39478-78-9)1HNMR
5-Bromo-2-methylaniline(39478-78-9)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

5-Bromo-2-methylaniline, 98%(39478-78-9)
[Sigma Aldrich]

39478-78-9(sigmaaldrich)
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