ChemicalBook CAS DataBase List 95-64-7

95-64-7

Name	3,4-Dimethylaniline
CAS	95-64-7
EINECS(EC#)	202-437-4
Molecular Formula	C8H11N
MDL Number	MFCD00007810
Molecular Weight	121.18
MOL File	95-64-7.mol

Synonyms

1-amino-3,4-dimethylbenzene 3,4-Dimethylaminobenzene 3,4-DIMETHYLANILINE 3,4-Dimethylphenylamine 3,4-XYLIDINE 4-AMINO-1,2-DIMETHYLBENZENE 4-AMINO-O-XYLENE AKOS 91143 AKOS BBS-00003673 ASYM-O-XYLIDINE LABOTEST-BB LTBB000552 3,4-Dimethylbeazenamine 3,4-dimethyl-benzenamin 3,4-Dimethylbenzenamine 3,4-dimethyl-Benzenamine 3,4-Dimethylbenzeneamine 3,4-Xylylamine 4-amino-1,2-dimethyl-benzen ai3-22779 Aniline, 3,4-dimethyl

Chemical Properties

Appearance	slightly beige to beige or pink crystalline mass
Melting point	49-51 °C(lit.)
Boiling point	226 °C(lit.)
density	1.076
vapor pressure	3.72Pa at 25℃
refractive index	1.5135 (estimate)
Fp	209 °F
storage temp.	Store below +30°C.
solubility	methanol: 0.1 g/mL, clear
form	Crystalline Mass or Crystals
pka	pK1:5.17(+1) (25°C)
color	Light beige to pink to brown
Water Solubility	<1 g/L (24 ºC)
Merck	14,10084
BRN	507414
Henry's Law Constant	5.3×10⁰ mol/(m³Pa) at 25℃, Jayasinghe et al. (1992)
InChI	1S/C8H11N/c1-6-3-4-8(9)5-7(6)2/h3-5H,9H2,1-2H3
InChIKey	DOLQYFPDPKPQSS-UHFFFAOYSA-N
SMILES	Cc1ccc(N)cc1C
LogP	1.8 at 25℃
Dissociation constant	5.15 at 25℃
CAS DataBase Reference	95-64-7(CAS DataBase Reference)
NIST Chemistry Reference	Benzenamine, 3,4-dimethyl-(95-64-7)
EPA Substance Registry System	95-64-7(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+P330-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 3452 6.1/PG 2
WGK Germany	2
RTECS	ZE9450000
F	8
TSCA	Yes
REACH Registrations	Inactive
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. Poison by ingestion. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also other xylidine entries. less more
Hazardous Substances Data	95-64-7(Hazardous Substances Data)

Raw materials And Preparation Products

Hazard Information

General Description

Pale brown crystals or off-white solid.

Reactivity Profile

3,4-XYLIDINE(95-64-7) 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

slightly beige to beige or pink crystalline mass

Uses

3,4-Dimethylaniline (3,4-DMA) has been used to study the electron donor-acceptor (EDA) interaction between 2,3-dicyano-1,4-naphthoquinone (DCNQ) and 3,4-dimethylaniline, in chloroform and dichloromethane. It can also be used for reactions with MoO(X)2(dtc)2 (X = Cl or Br; dtc = diethyldithiocarbamate) in methanol to form ionic imido complexes of the type [MoNAr(dtc)3]2[Mo6O19] or MoNAr(dtc)3]4[Mo8O26].

Uses

3,4-Dimethylaniline is used to study electron donor-acceptor interaction with DCNQ. It is also used as a fine chemical &organic intermediate.

Definition

ChEBI: A primary arylamine that is aniline in which the hydrogens at the 3- and 4-positions are replaced by methyl groups. A low-melting, crystalline solid, it is used in the production of vitamin B2, dyes, pesticides and other chemicals.

Synthesis Reference(s)

Journal of the American Chemical Society, 63, p. 2532, 1941 DOI: 10.1021/ja01854a509
Organic Syntheses, Coll. Vol. 3, p. 307, 1955

Purification Methods

Crystallise it from ligroin and distil it under vacuum. [Beilstein 12 H 1103, 12 IV 2502.]

Material Safety Data Sheet(MSDS)

Spectrum Detail

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