ChemicalBook--->CAS DataBase List--->95-78-3

95-78-3

95-78-3 Structure

95-78-3 Structure
IdentificationMore
[Name]

2,5-Dimethylaniline
[CAS]

95-78-3
[Synonyms]

1-AMINO-2,5-DIMETHYLBENZENE
2,5-DIMETHYLANILINE
2,5-XYLIDINE
2-AMINO-1,4-DIMETHYLBENZENE
2-AMINO-4-METHYLTOLUENE
3,6-DIMETHYLANILINE
3-amino-1,4-dimethylbenzene
5-METHYL-O-TOLUIDINE
6-METHYL-M-TOLUIDINE
AKOS 91126
AKOS BBS-00003675
P-XYLIDINE
2,5-dimethyl-anilin
2,5-dimethyl-benzenamin
2,5-Dimethylbenzenamine
2,5-dimethyl-Benzenamine
2,5-Dimethylbenzeneamine
2,5-Dimethylphenylamine
2-amino-1,4-dimethyl-benzen
2-Amino-1,4-xylene
[EINECS(EC#)]

202-451-0
[Molecular Formula]

C8H11N
[MDL Number]

MFCD00007743
[Molecular Weight]

121.18
[MOL File]

95-78-3.mol
Chemical PropertiesBack Directory
[Appearance]

clear yellow to red-brown liquid
[Melting point ]

11.5 °C(lit.)
[Boiling point ]

218 °C(lit.)
[density ]

0.973 g/mL at 25 °C(lit.)
[vapor pressure ]

20Pa
[refractive index ]

n20/D 1.559(lit.)
[Fp ]

201 °F
[storage temp. ]

Store below +30°C.
[solubility ]

Chloroform (Slightly), Dichloromethane (Slightly), DMSO (Sparingly)
[form ]

Liquid
[pka]

pK1:4.53(+1) (25°C)
[color ]

Clear yellow to red-brown
[Water Solubility ]

<0.1 g/100 mL at 18 ºC
[Merck ]

14,10084
[BRN ]

2205178
[Henry's Law Constant]

2.3×100 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
[InChI]

1S/C8H11N/c1-6-3-4-7(2)8(9)5-6/h3-5H,9H2,1-2H3
[InChIKey]

VOWZNBNDMFLQGM-UHFFFAOYSA-N
[SMILES]

Cc1ccc(C)c(N)c1
[LogP]

1.83
[CAS DataBase Reference]

95-78-3(CAS DataBase Reference)
[IARC]

3 (Vol. 16, Sup 7) 1987
[NIST Chemistry Reference]

Benzenamine, 2,5-dimethyl-(95-78-3)
[EPA Substance Registry System]

95-78-3(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)Health Hazard (GHS08)Environment (GHS09)
GHS06,GHS08,GHS09
[Signal word ]

Danger
[Hazard statements ]

H301+H311+H331-H373-H411
[Precautionary statements ]

P273-P280-P301+P310-P302+P352+P312-P304+P340+P311-P314
[Hazard Codes ]

T,N
[Risk Statements ]

R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R33:Danger of cumulative effects.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
[Safety Statements ]

S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S36/37:Wear suitable protective clothing and gloves .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
[RIDADR ]

UN 1711 6.1/PG 2
[WGK Germany ]

3
[RTECS ]

ZE9100000
[F ]

8-10-23
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

6.1
[PackingGroup ]

II
[HS Code ]

29214910
[Storage Class]

6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
[Hazard Classifications]

Acute Tox. 3 Dermal
Acute Tox. 3 Inhalation
Acute Tox. 3 Oral
Aquatic Chronic 2
STOT RE 2
[Safety Profile]

Suspected carcinogen. A poison. Moderately toxic by ingestion. Quesuonable carcinogen. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also other xylidme entries.
[Hazardous Substances Data]

95-78-3(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

2,5-DIMETHYLBENZONITRILE-->2-Fluoro-p-Xylene-->2,5-Dimethylphenol-->2,5-DIMETHYLPHENYL ISOCYANATE-->3-Fluoro-4-methylbenzoic acid-->2,5-DIMETHYLANISOLE-->C.I. Direct Orange 35-->disodium 7-(acetylamino)-3-[[4-[(4-chloro-2-sulphonatophenyl)azo]-2,5-dimethylphenyl]azo]-4-hydroxynaphthalene-2-sulphonate-->4-Hydroxy-7-phenylamino-3-[[2,5-dimethyl-4-[(4-methyl-2-sodiosulfophenyl)azo]phenyl]azo]naphthalene-2-sulfonic acid sodium salt-->tetrasodium 5,5'-[iminobis[(1-hydroxy-3-sulphonato-6,2-naphthylene)azo(2,5-dimethoxy-4,1-phenylene)azo]]bis(salicylate)-->1,5-Naphthalenedisulfonic acid, 3-[[4-[[4-[(4-amino-2,5-dimethylphenyl)azo]-6(or 7)-sulfo-1-naphthalenyl]azo]-1-naphthalenyl]azo]-, trisodium salt-->Direct Orange 46-->disodium 7-amino-4-hydroxy-3-[[5-hydroxy-6-(phenylazo)-7-sulphonato-2-naphthyl]azo]naphthalene-2-sulphonate-->C.I. Reactive orange 35-->Naphtho[2,1-d]thiazole-8-sulfonic acid, 2-(4-aminophenyl)-7-[[4-[(4-chloro-2-sulfophenyl)azo]-2,5-dimethylphenyl]azo]-6-hydroxy-, disodium salt-->REACTIVE BROWN 2-->2-Naphthalenesulfonic acid, 3-[[2,5-dimethyl-4-[(4-sulfophenyl)azo]phenyl]azo]-4-hydroxy-7-[[[(5-hydroxy-7-sulfo-2-naphthalenyl)amino]carbonyl]amino]-, trisodium salt-->3-[[2,5-Dimethyl-4-[(1-hydroxy-6-phenylamino-3-sodiosulfo-2-naphthalenyl)azo]phenyl]azo]naphthalene-1,5-disulfonic acid disodium salt-->Solvent Red 26-->Benzenesulfonic acid, 5-[(4-amino-2,5-dimethylphenyl)azo]-2-methoxy-, monosodium salt, reaction products with 2,2'-(1,2-ethenediyl)bis[5-nitrobenzenesulfonic acid], reduced
Hazard InformationBack Directory
[General Description]

Dark brown liquid.
[Reactivity Profile]

2,5-XYLIDINE(95-78-3) ignites on contact with fuming nitric acid . Neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides.
[Air & Water Reactions]

This chemical may be sensitive to prolonged exposure to air. Insoluble in water.
[Fire Hazard]

This chemical is combustible.
[Chemical Properties]

clear yellow to red-brown liquid
[Uses]

2,5-Dimethylaniline was used in the synthesis of nanocomposite of multi-walled carbon nanotubes embedded in poly(2,5-dimethylaniline). 2,5-Dimethylaniline was used to study the effect of metabolites formed from 2,5-xylidine by fungi on laccase activity.
[Uses]

2,5-Dimethylaniline is widely used as raw materials to produce imaging chemicals like organic dyes and pigments. It is also used in the production of antioxidants, pharmaceutical, agricultural, rubber chemicals and other target organic molecules. 2,5-Dimethylaniline was also used in the synthesis of nanocomposite of multi-walled carbon nanotubes embedded in poly(2,5-dimethylaniline). 2,5-Dimethylaniline was used to study the effect of metabolites formed from 2,5-xylidine by fungi on laccase activity. The Fourier transform infrared (FTIR) and Raman spectra of 2,5-dimethylaniline was studied5. It induced transcription of lccIV.
[Uses]

The uses are the same as those of xylidines.
[Definition]

ChEBI: A primary arylamine that is aniline in which the hydrogens at the 2- and 5-positions are replaced by methyl groups. It is used in the manufacture of dyes and other chemicals.
[Purification Methods]

Convert p-xylidine to a derivative (see below) which, after recrystallisation, is decomposed with alkali to give the free base. Dry over KOH and fractionally distil. The acetyl derivative has m 142o (from H2O or toluene), and the benzoyl derivative has m 140o (from EtOH). [Beilstein 12 H 1135, 12 IV 2567.]
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1-Amino-2,5-dimethylbenzene(95-78-3).msds
Spectrum DetailBack Directory
[Spectrum Detail]

2,5-Dimethylaniline(95-78-3)MS
2,5-Dimethylaniline(95-78-3)1HNMR
2,5-Dimethylaniline(95-78-3)13CNMR
2,5-Dimethylaniline(95-78-3)IR1
2,5-Dimethylaniline(95-78-3)IR2
2,5-Dimethylaniline(95-78-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2,5-Dimethylaniline, 99%(95-78-3)
[Alfa Aesar]

2,5-Dimethylaniline, 98+%(95-78-3)
[Sigma Aldrich]

95-78-3(sigmaaldrich)
[TCI AMERICA]

2,5-Dimethylaniline,>97.0%(GC)(95-78-3)
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