ChemicalBook--->CAS DataBase List--->13194-68-8

13194-68-8

13194-68-8 Structure

13194-68-8 Structure
IdentificationMore
[Name]

4-IODO-2-METHYLANILINE
[CAS]

13194-68-8
[Synonyms]

2-AMINO-5-IODOTOLUENE
4-IODO-2-METHYLANILINE
4-IODO-2-METHYLBENZENAMINE
AKOS BBS-00007953
AURORA 1126
BUTTPARK 24\04-61
Aniline, 4-iodo-2-methyl-
Benzenamine, 4-iodo-2-methyl-
4-Iodo-o-toluidine
2-Amino-5-iodotoluene~4-Iodo-o-toluidine
4-iodo-2-methylanil
4-IODO-2-METHYLANILINE, 98+%
[EINECS(EC#)]

236-154-2
[Molecular Formula]

C7H8IN
[MDL Number]

MFCD00025299
[Molecular Weight]

233.05
[MOL File]

13194-68-8.mol
Chemical PropertiesBack Directory
[Appearance]

Grey to purple crystals
[Melting point ]

86-89 °C (lit.)
[Boiling point ]

278.4±28.0 °C(Predicted)
[density ]

1.791±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[pka]

3.66±0.10(Predicted)
[color ]

Purple to Dark purple to Dark red
[Sensitive ]

Light Sensitive
[BRN ]

2353618
[InChI]

InChI=1S/C7H8IN/c1-5-4-6(8)2-3-7(5)9/h2-4H,9H2,1H3
[InChIKey]

BGKLFAQCHHCZRZ-UHFFFAOYSA-N
[SMILES]

C1(N)=CC=C(I)C=C1C
[CAS DataBase Reference]

13194-68-8(CAS DataBase Reference)
Safety DataBack Directory
[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 .
[RIDADR ]

2811
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29214300
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

Grey to purple crystals
[Synthesis]

4-BROMO-2-METHYLANILINE

583-75-5

4-IODO-2-METHYLANILINE

13194-68-8

General procedure for the synthesis of 4-iodo-2-methylaniline from 2-methyl-4-bromoaniline: the aromatic Finkelstein reaction is used. Since copper(I) iodide is sensitive to moisture and oxygen, the reaction is carried out under argon protection using the standard Schlenk technique. The procedure is as follows: 2-methyl-4-bromoaniline, NaI (2 equiv., relative to bromine exchange) and CuI (5 mol%, relative to bromine exchange) are added to a two-necked pear-shaped flask equipped with a reflux condenser. N,N'-dimethylethylenediamine (L1) or N,N'-dimethyl-1,2-cyclohexanediamine (L2) (10 mol%, relative to bromine exchange) and anhydrous 1,4-dioxane (0.5 mL per 1 mmol NaI) were subsequently added. The resulting suspension was heated to 110°C and reacted for 18 hours. After completion of the reaction, it was cooled to room temperature and the mixture was poured into a 25% ammonia solution. The blue solution was diluted with deionized water until doubled in volume and extracted three times with dichloromethane. If 2,2'-bipyridine was used as the ligand, the combined organic phases were additionally washed with aqueous EDTA; otherwise, the combined organic phases were washed with saturated saline only and dried with anhydrous magnesium sulfate. The solvent is removed by concentration under reduced pressure to give pure 4-iodo-2-methylaniline. If necessary, the crude product can be further purified by column chromatography or recrystallization.

[Purification Methods]

Crystallise it from 50% EtOH. [Beilstein 12 IV 1807.]
[References]

[1] Synthesis (Germany), 2014, vol. 46, # 8, p. 1085 - 1090
[2] Journal of the American Chemical Society, 2015, vol. 137, # 26, p. 8328 - 8331
Spectrum DetailBack Directory
[Spectrum Detail]

4-IODO-2-METHYLANILINE(13194-68-8)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Iodo-2-methylaniline,98+%(13194-68-8)
[Alfa Aesar]

4-Iodo-2-methylaniline, 98+%(13194-68-8)
[Sigma Aldrich]

13194-68-8(sigmaaldrich)
[TCI AMERICA]

4-Iodo-2-methylaniline,>98.0%(GC)(T)(13194-68-8)
13194-68-8 suppliers list
Company Name: Shanghai Harvest Chemical Industrial Co., Ltd.  Gold
Telephone: 15721252604 17321035817
Website: www.harvest-chem.com/
Company Name: J & K SCIENTIFIC LTD.  
Telephone: 18210857532 18210857532
Website: https://www.jkchemical.com
Company Name: Meryer (Shanghai) Chemical Technology Co., Ltd.  
Telephone: 4006356688 18621169109
Website: www.x-labseek.com/
Company Name: Alfa Aesar  
Telephone: 400-6106006
Website: http://chemicals.thermofisher.cn
Company Name: TCI (Shanghai) Development Co., Ltd.  
Telephone: 021-67121386
Website: https://www.tcichemicals.com/CN/zh/
Company Name: BeiJing Hwrk Chemicals Limted  
Telephone: 0757-86329057 18934348241
Website: www.hwrkchemical.com/
Company Name: Energy Chemical  
Telephone: 400-0056266
Website: www.energy-chemical.com
Company Name: Shijiazhuang Sdyano Fine Chemical Co., Ltd.  
Telephone: 0311-89250318 13582355795
Website: www.sdynchem.com
Company Name: Wuhan Chemwish Technology Co., Ltd  
Telephone: 86-027-67849912
Website: www.chemwish.com
Company Name: Capot Chemical Co., Ltd  
Telephone: +86 (0) 571 85 58 67 18
Website: www.capotchem.com
Company Name: Beijing Ouhe Technology Co., Ltd  
Telephone: 13552068683 13522913783
Website: www.ouhetech.cn/
Company Name: JinYan Chemicals(ShangHai) Co.,Ltd.  
Telephone: 13817811078
Website: www.jingyan-chemical.com
Company Name: Shanghai Sinch Parmaceuticals Tech. Co. Ltd.  
Telephone: +86-21-54098501
Website: www.sinch.com.cn
Company Name: Shanghai Hanhong Scientific Co.,Ltd.  
Telephone: 021-54306202 13764082696
Website: https://www.hanhongsci.com
Company Name: Syntechem Co.,Ltd  
Telephone:
Website: www.syntechem.com
Company Name: Sichuan Kulinan Technology Co., Ltd  
Telephone: 400-1166-196 18981987031
Website: http://www.hx-r.com/
Company Name: Tianjin heowns Biochemical Technology Co., Ltd.  
Telephone: 400 638 7771
Website: www.heowns.com
Company Name: Aemon Chemical  
Telephone: 0086-755-86198205
Website: www.aemonchem.com
Tags:13194-68-8 Related Product Information
20691-72-9 20780-76-1 83863-33-6 13194-68-8 35944-64-0 609-86-9 29289-13-2 5326-47-6 16064-08-7 77317-55-6 97760-98-0 13194-69-9