ChemicalBook CAS DataBase List 87-62-7

87-62-7

Name	2,6-Dimethylaniline
CAS	87-62-7
EINECS(EC#)	201-758-7
Molecular Formula	C8H11N
MDL Number	MFCD00007747
Molecular Weight	121.18
MOL File	87-62-7.mol

Synonyms

1-Amino-2,6-dimethylbenzene 2,6-DIMETHYLANILINE 2,6-XYLIDINE 2-AMINO-1,3-DIMETHYLBENZENE 2-AMINO-M-XYLENE AKOS BBS-00003564 DIMETHYLANILINE,2,6- LABOTEST-BB LTBB000551 TIMTEC-BB SBB008136 VIC-M-XYLIDINE xylylamine 2,6-dimethyl-anilin 2,6-dimethyl-benzenamin 2,6-Dimethylbenzenamine 2,6-dimethyl-Benzenamine 2,6-Dimethylbenzeneamine 2,6-dimethylphenylamine 2,6-Dimethyl-phenylamine 2,6-DMA 2,6-Xyildine

Chemical Properties

Appearance	clear yellow to red-brown liquid
Melting point	10-12 °C(lit.)
Boiling point	216 °C
density	0.984 g/mL at 25 °C(lit.)
vapor pressure	<0.01 mm Hg ( 20 °C)
refractive index	n20/D 1.560(lit.)
Fp	196 °F
storage temp.	Store below +30°C.
solubility	13g/l
form	Liquid
pka	3.89(at 25℃)
color	Clear yellow to red-brown
PH	12.5 (100g/l, H2O, 20℃)
PH Range	12.5
explosive limit	1.3-6.9%(V)
Water Solubility	7.5 g/L (20 ºC)
Specific Heat Capacity	Cp(liquid):238.9J/(g·K),at 25℃
Detection Methods	HPLC,NMR
Merck	14,10084
BRN	636332
Henry's Law Constant	3.9×10⁰ mol/(m³Pa) at 25℃, Duchowicz et al. (2020)
Stability:	Air Sensitive, Hygroscopic
Major Application	agriculture cleaning products cosmetics environmental food and beverages personal care
InChI	1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3
InChIKey	UFFBMTHBGFGIHF-UHFFFAOYSA-N
SMILES	Cc1cccc(C)c1N
LogP	1.840
CAS DataBase Reference	87-62-7(CAS DataBase Reference)
IARC	2B (Vol. 57) 1993
NIST Chemistry Reference	Benzenamine, 2,6-dimethyl-(87-62-7)
EPA Substance Registry System	87-62-7(EPA Substance)

Safety Data

Symbol(GHS)	GHS07,GHS08,GHS09
Signal word	Warning
Hazard statements	H302+H312+H332-H315-H335-H351-H411
Precautionary statements	P273-P280-P301+P312-P302+P352+P312-P304+P340+P312-P308+P313
Hazard Codes	Xn,N,T
Risk Statements	R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . R37/38:Irritating to respiratory system and skin . R40:Limited evidence of a carcinogenic effect. R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment . less more
Safety Statements	S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) . S25:Avoid contact with eyes . S36/37:Wear suitable protective clothing and gloves . S61:Avoid release to the environment. Refer to special instructions safety data sheet . less more
RIDADR	UN 1711 6.1/PG 2
WGK Germany	2
RTECS	ZE9275000
F	8
Autoignition Temperature	490 °C
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. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Aquatic Chronic 2 Carc. 2 Eye Irrit. 2 Skin Irrit. 2 STOT SE 3
Safety Profile	Suspected carcinogen. Moderately toxic by ingestion. Mutation data reported. Questionable carcinogen with experimental carcinogenic data. When heated to decomposition it emits toxic fumes of NOx. See also other xylidme entries. less more
Hazardous Substances Data	87-62-7(Hazardous Substances Data)
Toxicity	LD50 orally in Rabbit: 1290 mg/kg less more

Raw materials And Preparation Products

Hazard Information

General Description

A liquid. Toxic by ingestion, inhalation and skin absorption. Slightly soluble in water. Used in pharmaceuticals, as dye intermediates and organic syntheses.

Reactivity Profile

2,6-XYLIDINE(87-62-7) reacts with strong oxidizing agents [Handling Chemicals Safely 1980 p. 964]. 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

Slightly soluble in water.

Health Hazard

May be fatal if inhaled, swallowed or absorbed through skin. Vapor or mist irritating to the eyes, mucous membranes and upper respiratory tract; causes skin irritation. Absorption into body leads to the formation of methemoglobin which, in sufficient concentration, may cause cyanosis. Onset may be delayed 2-4 hours or longer. Exposure can cause nausea, dizziness, headache, damage to the eyes, and blood effects.

Fire Hazard

Special Hazards of Combustion Products: Container explosion may occur under fire conditions. Emits toxic fumes under fire conditions.

Chemical Properties

clear yellow to red-brown liquid

Uses

Bupivacaine (B689560) impurity.

Definition

ChEBI: A primary arylamine that is aniline in which the hydrogens at the 2- and 6-positions are replaced by methyl groups. It is used in the production of some anasthetics and other chemicals. It is a drug metabolite of lidocaine (local anasthetic).

Preparation

2,6-Dimethylaninile is prepared by nitration of xylene and reduction, followed by removal of the 2,4-isomer by formation of the acetate salt, removal of the 2,5-isomer by formation of the hydrochloride salt, and recovery of the 2,6-isomer by sublimation (US National Library of Medicine, 1992a).
2,6-Dimethylaniline is produced by one company each in Japan, Switzerland and the USA and by three companies in Germany (Chemical Information Servces, 1991).

Synthesis Reference(s)

Journal of the American Chemical Society, 92, p. 7464, 1970 DOI: 10.1021/ja00728a038
The Journal of Organic Chemistry, 37, p. 3570, 1972

Purification Methods

Convert vic-xylidine to a derivative (see below) which, after recrystallisation, is decomposed with alkali to give the free base. Dry it over KOH and fractionally distil. The acetyl derivative has m 177o, the benzoyl derivative has m 168o, and the picrate has m 180o. [Beilstein 12 H 1107, 12 IV 2521.]

Toxics Screening Level

The ambient annual concentration of 2,6 xylidine associated with a lifetime incremental risk of 1 x 10- 6 (one in one million) is 0.78 119/m 3.

Material Safety Data Sheet(MSDS)

Spectrum Detail

Well-known Reagent Company Product Information

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