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N-Methylaniline

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Name

N-Methylaniline

EINECS 202-870-9
CAS No. 100-61-8 Density 0.984 g/cm3
Solubility 30 g/L Melting Point -57 °C(lit.)
Formula C6H5NH(CH3) Boiling Point 196.249 °C at 760 mmHg
Molecular Weight 107.15 Flash Point 78.889 °C
Transport Information UN 2294 6.1/PG 3 Appearance pale yellow to brown liquid
Safety 28-36/37-45-60-61-28A Risk Codes 23/24/25-33-50/53
Molecular Structure Molecular Structure of 100-61-8 (Benzenamine, N-methyl-) Hazard Symbols ToxicT,DangerousN
Synonyms

(Methylamino)benzene;AI3-19498;Aniline, N-methyl-;CCRIS 2870;HSDB 1654;Methylphenylamine;Monomethylaniline;

 

N-Methylaniline Consensus Reports

Reported in EPA TSCA Inventory.

N-Methylaniline Standards and Recommendations

OSHA PEL: TWA 0.5 ppm (skin)
ACGIH TLV: TWA 0.5 ppm (skin)
DFG MAK: 0.5 ppm (2.2 mg/m3)
DOT Classification:  6.1; Label: KEEP AWAY FROM FOOD

N-Methylaniline Analytical Methods

For occupational chemical analysis use NIOSH: Monomethylamiline S153.

N-Methylaniline Specification

The N-Methylaniline is a toxic organic compound with the chemical formula C6H5NH(CH3). With the CAS registry number 100-61-8, it is also known as Anilinomethane. It belongs to the product categories of Intermediates of Dyes and Pigments; Anilines, Aromatic Amines and Nitro Compounds; Organics. Its EINECS registry number is 202-870-9. Its IUPAC name is called N-methylaniline. It is used as a latent and coupling solvent and is also used is as an intermediate for dyes, agrochemicals and other organic products manufacturing.

Physical properties of N-Methylaniline: (1)ACD/LogP: 1.71; (2)ACD/LogD (pH 5.5): 1.648; (3)ACD/LogD (pH 7.4): 1.711; (4)ACD/BCF (pH 5.5): 10.174; (5)ACD/BCF (pH 7.4): 11.757; (6)ACD/KOC (pH 5.5): 175.664; (7)ACD/KOC (pH 7.4): 203; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.573; (12)Molar Refractivity: 35.862 cm3; (13)Molar Volume: 108.89 cm3; (14)Surface Tension: 35.699 dyne/cm; (15)Density: 0.984 g/cm3; (16)Flash Point: 78.889 °C; (17)Enthalpy of Vaporization: 43.245 kJ/mol; (18)Boiling Point: 196.249 °C at 760 mmHg; (19)Vapour Pressure: 0.402 mmHg at 25°C.

Preparation of N-Methylaniline: this chemical can be prepared by N,N-dimethyl-aniline. This reaction will need reagents potassium 12-tungstocobaltate(III), AcOK and solvents acetonitrile, H2O. The reaction time is 4 hours with reaction temperature of 20 °C.

N-Methylaniline can be prepared by N,N-dimethyl-aniline

Uses of N-Methylaniline: it can be used to produce N,N'-Dimethylsulfinyldianilin at temperature of -78 °C. This reaction will need reagents NEt3, SOCl2 and solvent diethyl ether with reaction time of 1 hour. The yield is about 35%.

N-Methylaniline can be prepared by N,N-dimethyl-aniline

When you are using this chemical, please be cautious about it as the following:
This chemical that at low levels can cause damage to health. It may present an immediate or delayed danger to one or more components of the environment. It is toxic by inhalation, in contact with skin and if swallowed. After contact with skin, you should wash immediately with plenty of ... (to be specified by the manufacturer). In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CNC1=CC=CC=C1
(2)InChI: InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3
(3)InChIKey: AFBPFSWMIHJQDM-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 24mg/kg (24mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 1, 1949.
guinea pig LDLo oral 1200mg/kg (1200mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
U.S. Public Health Service, Public Health Bulletin. Vol. 271, Pg. 16, 1941.
guinea pig LDLo subcutaneous 1200mg/kg (1200mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
U.S. Public Health Service, Public Health Bulletin. Vol. 271, Pg. 16, 1941.
rabbit LDLo intravenous 24mg/kg (24mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 1, 1949.
rabbit LDLo oral 280mg/kg (280mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 1, 1949.

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