ChemicalBook CAS DataBase List 95-78-3

95-78-3

Name	2,5-Dimethylaniline
CAS	95-78-3
EINECS(EC#)	202-451-0
Molecular Formula	C8H11N
MDL Number	MFCD00007743
Molecular Weight	121.18
MOL File	95-78-3.mol

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

Chemical Properties

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 Data

Symbol(GHS)	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 . less more
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 . less more
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. less more
Hazardous Substances Data	95-78-3(Hazardous Substances Data)

Raw materials And Preparation Products

Hazard Information

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)

Spectrum Detail

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