121-69-7

121-69-7 - Names and Identifiers

Name	N,N-Dimethylaniline
Synonyms	Dimethylphylamine N,N-Dimethylaniline N,N-DIMETHYLACETATE N,N-Dimethyl aniline N,N-dimethylanilinium Aniline,N,N-dimethyl- N-ACETYLDIMETHYLAMINE Aniline, N,N-dimethyl- N,N-dimethylphenylamine N,N-Dimethylbenzenamine N,N-Dimethylphenylamine N,N-dimethyl-Benzenamine N,N-Dimethylbenzeneamine Benzenamine,N,N-dimethyl- N,N-(Dimethylamino)benzene N,N-Dimethyl-N-phenylamine N,N-dimethylanilinium iodide
CAS	121-69-7
EINECS	204-493-5
InChI	InChI=1/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3/p+1
InChIKey	JLTDJTHDQAWBAV-UHFFFAOYSA-N

121-69-7 - Physico-chemical Properties

Molecular Formula	C8H11N
Molar Mass	121.18
Density	0.956 g/mL at 25 °C (lit.)
Melting Point	1.5-2.5 °C (lit.)
Boling Point	193-194 °C (lit.)
Flash Point	158°F
Water Solubility	1 g/L (20 ºC)
Solubility	1.2g/l
Vapor Presure	2 mm Hg ( 25 °C)
Vapor Density	3 (vs air)
Appearance	Liquid
Color	Clear yellow
Exposure Limit	NIOSH REL: TWA 5 ppm (25 mg/m3), STEL 10 ppm (50 mg/m3), IDLH 100ppm; OSHA PEL: TWA 5 ppm; ACGIH TLV: TWA 5 ppm, STEL 10 ppm (adopted).
Merck	14,3234
BRN	507140
pKa	5.15(at 25℃)
PH	7.4 (1.2g/l, H2O, 20℃)
Storage Condition	Store below +30°C.
Stability	Stable. Incompatible with strong oxidizing agents, strong acids, acid chlorides, acid anhydrides, chloroformates, halogens. Combustible.
Explosive Limit	1.2-7%(V)
Refractive Index	n20/D 1.557(lit.)
Physical and Chemical Properties	Density: 0.9563-0.9557(20 ℃) Melting Point: 2.45 ℃ Boiling Point: 194.5 ℃ refractive index: 1.5582 physico-chemical properties: light yellow to brown oily liquid, flammable, special odor, toxic, insoluble in water, soluble in ethanol, ether, chloroform, benzene and acid solution. spontaneous ignition point: 371.11°C flash point: 62.78°C (closed cup) explosion limit: 1.2%-7.0%
Use	One of the basic raw materials for the production of basic dyes (triphenylmethane dyes, etc.) and basic dyes, the main varieties are alkaline light yellow, basic purple 5BN, basic green, alkaline lake blue, brilliant red 5GN, brilliant blue and so on. N,N-dimethylaniline is used in the pharmaceutical industry for the manufacture of cephalosporin V, sulfanilamide-B-methoxypyrimidine, sulfanilamide-o-dimethoxypyrimidine, fluorocytosine, etc, in the perfume industry for the production of vanillin and so on.

121-69-7 - Risk and Safety

Risk Codes	R61 - May cause harm to the unborn child R20/21 - Harmful by inhalation and in contact with skin. R51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R40 - Limited evidence of a carcinogenic effect R23/24/25 - Toxic by inhalation, in contact with skin and if swallowed.
Safety Description	S53 - Avoid exposure - obtain special instructions before use. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. S36/37 - Wear suitable protective clothing and gloves. S28A - S28 - After contact with skin, wash immediately with plenty of soap-suds.
UN IDs	UN 2253 6.1/PG 2
WGK Germany	3
RTECS	BX4725000
FLUKA BRAND F CODES	8
TSCA	Yes
HS Code	2921 42 00
Hazard Class	6.1
Packing Group	II
Toxicity	LD50 orally in rats: 1.41 ml/kg (Smyth)

121-69-7 - Upstream Downstream Industry

Raw Materials

Aniline

121-69-7 - Nature

Open Data Verified Data

light yellow to light brown oily liquid, flammable, with pungent odor. Soluble in ethanol, chloroform, ether and aromatic organic solvents, water-soluble. Thermal decomposition of the emission of toxic ammonia oxidation flue gas.

Last Update：2024-01-02 23:10:35

121-69-7 - Hair-making

Open Data Verified Data

aniline, methanol and sulfuric acid were mixed evenly in proportion, and condensation reaction was carried out in an autoclave. After the reaction product was recovered from methanol by pressure relief, it was neutralized by adding alkali, separated and then distilled under reduced pressure to obtain the product.

Last Update：2022-01-01 10:06:39

121-69-7 - Use

Open Data Verified Data

This product is used as a catalyst for the preparation of polyurethane foam with organic tin compounds. Also used as rubber vulcanization accelerator, explosives, medicine raw materials. It is one of the basic raw materials for the production of basic dyes (triphenylmethane dyes, etc.) and basic dyes. The main varieties are alkaline light yellow, alkaline purple 5BN, basic green, alkaline lake blue, brilliant red 5GN, brilliant blue, etc. N,N-dimethylaniline is used in the pharmaceutical industry for the manufacture of cephalosporin V, sulfadiazine-B-oxypyrimidine, sulfadimidine, in the perfume industry for the production of vanillin and so on.

Last Update：2022-01-01 10:06:40

121-69-7 - Safety

Open Data Verified Data

rat oral LD50: 1410mg/kg; Rabbit percutaneous LD50: 1770mg/kg. Inhalation of its vapor or absorption through the skin cause poisoning. Its toxicity and aniline is approximately the same. With blood toxicity, neurotoxicity and carcinogenicity. Contact with the skin should be avoided. The operation site should be well ventilated and the equipment should be closed. Operators should wear protective gear.

Last Update：2022-01-01 10:06:40

121-69-7 - Reference Information

relative polarity	0.179
Henry's Law Constant	4.98(x 10-6 atm?m3/mol) at 20 °C (approximate - calculated from water solubility and vapor pressure)
LogP	1.171 at 35℃
(IARC) carcinogen classification	3 (Vol. 57) 1993
NIST chemical information	information provided by: webbook.nist.gov (external link)
EPA chemical substance information	information provided by: ofmpeb.epa.gov (external link)
preparation	a continuous preparation method of N,N-dimethylaniline, using Solid acid SO42-/ZrO2 as Catalyst, the gas phase catalytic reaction of methanol and aniline was carried out in a tubular reactor, and the obtained reaction product was separated by distillation to obtain N,N-dimethylaniline. The specific steps of the method are as follows:(1) Adding solid acid SO42-/ZrO2 catalyst into the tubular reactor, heating and vaporizing the raw material aniline and methanol, and then continuously passing into the tubular reactor, the mixed gas generated by the gas phase catalytic reaction is condensed to obtain the crude product of N,N-dimethylaniline;(2) the N, the crude product of N-dimethylaniline is separated by vacuum distillation in a side-line rectification column. The side-line output of the side-line rectification column is N,N-dimethylaniline with content ≥ 99.1wt%, and methanol aqueous solution is obtained at the top of the side-line rectification column, the bottom discharge of the side-line distillation column is a mixed liquid containing N,N-dimethylaniline;(3) the methanol aqueous solution obtained at the top of the side-line distillation column is added to the distillation column and separated by distillation, methanol obtained at the top of the rectification column was recycled as a raw material.
Application	used in the manufacture of spices, pesticides, dyes, explosives, etc. This product is an important dye intermediate. It can be used for preparing alkaline light yellow, alkaline Violet 5BN, alkaline Green, alkaline Blue BB, alkaline brilliant blue R, cationic red 2BL, brilliant red 5GN, purple 3BL, brilliant blue, etc. In the pharmaceutical industry, the product can be used for the manufacture of cephalosporin V, sulfadiazine-B-methoxypyrimidine, sulfadimidine, flucytosine, etc. It can be used in the perfume industry to produce vanillin. It can also be used as solvent, rubber vulcanization accelerator, explosive and raw material of some organic intermediates. One of the basic raw materials for the production of basic dyes (triphenylmethane dyes, etc.) and basic dyes, the main varieties are basic yellow, basic purple 5BN, basic green, alkaline lake blue, brilliant red 5GN, brilliant blue, etc. N,N-dimethylaniline is used in the pharmaceutical industry for the manufacture of cephalosporin V, sulfanilamide-B-methoxypyrimidine, sulfanilamide-o-dimethoxypyrimidine, fluorocytosine, etc, in the perfume industry for the production of vanillin and so on. used as analytical reagent It is an important dye intermediate, mainly used in the manufacture of azo dyes, triphenylmethane dyes, and also an intermediate in the manufacture of spices, pharmaceuticals, explosives, etc. test methanol, methyl furaldehyde, hydrogen peroxide, nitrate, ethanol, formaldehyde and tertiary amine, Colorimetric Determination of nitrite, etc., solvent, manufacturing vanillin, Methyl violet, miconazole ketone and other dyes. It is also used in new processes for symmetric and asymmetric optical conductors.
production method	from aniline and methanol in the presence of sulfuric acid, through high temperature and high pressure reaction. Raw material consumption quota: aniline 790kg/t, methanol 625kg/t, sulfuric acid 85kg/t. Laboratory preparation aniline can be reacted with trimethyl phosphate.
category	toxic substances
toxicity grade	poisoning
Acute toxicity	oral-rat LD50: 1410 mg/kg
stimulation data	Skin-rabbit 10 mg/24 h mild; Eye-rabbit LD50: 20 mg/24 h moderate
explosive hazard characteristics	explosive when mixed with air
flammability hazard characteristics	open flame flammable; Working with oxidants; high thermal decomposition of toxic nitrogen oxides smoke
storage and transportation characteristics	The warehouse is ventilated and dried at low temperature, separate storage of food additives
fire extinguishing agent	foam, carbon dioxide, dry powder, sand
Occupational Standard	TWA 25 mg/m3; Tel 50 mg/m3
autoignition temperature	370°C DIN 51794
toxic substance data	information provided by: pubchem.ncbi.nlm.nih.gov (external link)
immediate life-and health-threatening concentration	100 ppm

Last Update：2024-04-10 22:29:15

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