ChemicalBook CAS DataBase List 121-72-2

121-72-2

Name	N,N-DIMETHYL-M-TOLUIDINE
CAS	121-72-2
EINECS(EC#)	204-495-6
Molecular Formula	C9H13N
MDL Number	MFCD00008305
Molecular Weight	135.21
MOL File	121-72-2.mol

Synonyms

3,N,N-TRIMETHYLANILINE N,N,3-TRIMETHYLBENZENAMINE N,N-DIMETHYL-3-METHYLANILINE N,N-DIMETHYL-3-TOLUIDINE N,N-DIMETHYL-M-TOLUIDINE TIMTEC-BB SBB008276 Benzene, 1-(dimethylamino)-3-methyl- Benzeneamine,N,N,3-trimethyl- Dimethyl-m-toluidine Dimetil-m-toluidina m,N,N-trimethylaniline m-Methyl-N,N-dimethylaniline m-Toluidine, N,N-dimethyl- N,N,3-Trimethylaniline n,n,3-trimethyl-benzenamin N,N-dimethyl-m-ethylaniline N,N-Dimethyl-m-methylaniline n,n-dimethyl-m-toluidin N,N-Dimethyl-3-methylaniline~N,N,3-Trimethylaniline N,N-Dimethyl-m-toliudine

Chemical Properties

Appearance	clear yellow liquid
Melting point	-15 °C
Boiling point	215 °C(lit.)
density	0.93 g/mL at 25 °C(lit.)
refractive index	n20/D 1.55(lit.)
Fp	185 °F
storage temp.	Sealed in dry,Room Temperature
form	Liquid
pka	5.22±0.10(Predicted)
color	Clear yellow
BRN	1422766
InChI	InChI=1S/C9H13N/c1-8-5-4-6-9(7-8)10(2)3/h4-7H,1-3H3
InChIKey	CWOMTHDOJCARBY-UHFFFAOYSA-N
SMILES	C1(N(C)C)=CC=CC(C)=C1
CAS DataBase Reference	121-72-2(CAS DataBase Reference)
EPA Substance Registry System	Benzenamine, N,N,3-trimethyl- (121-72-2)

Safety Data

Symbol(GHS)	GHS06,GHS08
Signal word	Danger
Hazard statements	H301+H311+H331-H373-H412
Precautionary statements	P273-P280-P301+P310+P330-P302+P352+P312-P304+P340+P311-P314
Hazard Codes	T
Risk Statements	R23/24/25:Toxic by inhalation, in contact with skin and if swallowed . R33:Danger of cumulative effects. R52/53:Harmful 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 2810 6.1/PG 3
WGK Germany	2
RTECS	XU5798000
TSCA	Yes
HazardClass	6.1
PackingGroup	II
HS Code	29214300
Storage Class	6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects
Hazard Classifications	Acute Tox. 3 Dermal Acute Tox. 3 Inhalation Acute Tox. 3 Oral Aquatic Chronic 3 STOT RE 2
Toxicity	LD50 intraperitoneal in mouse: 300mg/kg less more

Hazard Information

General Description

A clear colorless liquid with an aromatic odor. Density 0.932 g/cm3 (Lancaster) and insoluble in water. Hence floats on water. Toxic by skin absorption and inhalation. Flash point 185°F. May release toxic vapors when burned.

Reactivity Profile

N,N-DIMETHYL-M-TOLUIDINE(121-72-2) 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. May generate hydrogen, a flammable gas, in combination with strong reducing agents such as hydrides.

Air & Water Reactions

Tends to darken upon exposure to air. Insoluble in water.

Health Hazard

TOXIC; inhalation, ingestion or skin contact with material may cause severe injury or death. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution.

Fire Hazard

Combustible material: may burn but does not ignite readily. When heated, vapors may form explosive mixtures with air: indoors, outdoors and sewers explosion hazards. Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated. Runoff may pollute waterways. Substance may be transported in a molten form.

Chemical Properties

clear yellow liquid

Uses

N,N,3-Trimethylaniline, is an building block used for the synthesis of more complex compounds, such as BTK (Bruton''s tyrosine kinase) inhibitor.

Purification Methods

Reflux it for 3hours with 2 molar equivalents of Ac2O, then fractionally distil it under reduced pressure. Alternatively, dry over BaO, distil and store it over KOH. The hydrochloride has m 176o (from EtOH) and the picrate has m 131o. Methods described for N,N-dimethylaniline are applicable. [Beilstein 12 H 857, 12 III 1953, 12 IV 1815.]

Spectrum Detail

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