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N,N-Diethylaniline

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Name

N,N-Diethylaniline

EINECS 202-088-8
CAS No. 91-66-7 Density 0.93 g/cm3
PSA 3.24000 LogP 2.53280
Solubility 14 g/L (12 °C) in water Melting Point -38 °C
Formula C10H15N Boiling Point 213.5 °C at 760 mmHg
Molecular Weight 149.236 Flash Point 97.8 °C
Transport Information UN 2432 6.1/PG 3 Appearance pale yellow to brown liquid
Safety 28-37-45-61-28A Risk Codes 23/24/25-33-51/53
Molecular Structure Molecular Structure of 91-66-7 (N,N-Diethylaniline) Hazard Symbols ToxicT, DangerousN
Synonyms

Aniline,N,N-diethyl- (8CI);(Diethylamino)benzene;DEA;Diethylaniline;Diethylphenylamine;N,N-Diethylaminobenzene;N,N-Diethylaniline;N,N-Diethylbenzenamine;N-Phenyldiethylamine;NL 64-10P;NSC 7205;

Article Data 261

N,N-Diethylaniline Consensus Reports

Reported in EPA TSCA Inventory.

N,N-Diethylaniline Standards and Recommendations

DOT Classification:  6.1; Label: KEEP AWAY FROM FOOD

N,N-Diethylaniline Specification

The N,N-Diethylaniline with cas registry number of 91-66-7 is a colorless to yellow liquid with a fishlike odor. It is incompatible with other materials strong oxidizing agents, acids. It also has EINECS registry number which is 202-088-8. The chemical belongs to several categories: Intermediates of Dyes and Pigments; Organics. As a chemical, it has some superlist names including Aniline, N,N-diethyl-; Benzenamine, N,N-diethyl-; N, N-Diethylaniline [UN2432] [Poison]; N,N-Diethylaniline UN2432. In addition, both its systematic name and IUPAC name are the same which is called N,N-diethylaniline.

The physical properties about this chemical are: (1)ACD/LogP: 3.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.2; (4)ACD/LogD (pH 7.4): 3.31; (5)ACD/BCF (pH 5.5): 14.23; (6)ACD/BCF (pH 7.4): 186.19; (7)ACD/KOC (pH 5.5): 106.66; (8)ACD/KOC (pH 7.4): 1395.41; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.533; (13)Molar Refractivity: 49.83 cm3; (14)Molar Volume: 160.4 cm3; (15)Surface Tension: 34.5 dyne/cm; (16)Density: 0.93 g/cm3; (17)Flash Point: 97.8 °C; (18)Enthalpy of Vaporization: 44.98 kJ/mol; (19)Boiling Point: 213.5 °C at 760 mmHg; (20)Vapour Pressure: 0.163 mmHg at 25°C ; (21)Water Solubility: 14 g/L (12 oC) ; (22)Refractive index: 1.541-1.543.

When you are using this chemical, please be cautious about it as the following:
This chemical is toxic by inhalation, in contact with skin and if swallowed. It also has the danger of cumulative effects. Hence, wear suitable gloves when using it. After contact with skin, wash immediately with plenty of soap-suds. In case of accident or if you feel unwell, seek medical advice immediately. Because it is toxic to aquatic organisms that may cause long-term adverse effects in the aquatic environment, you'd better avoid release it to the environment.

You can still convert the following datas into molecular structure:
(1)SMILES: N(c1ccccc1)(CC)CC;
(2)InChI: InChI=1/C10H15N/c1-3-11(4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3;
(3)InChIKey: GGSUCNLOZRCGPQ-UHFFFAOYAA

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 2570mg/kg (2570mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 48(6), Pg. 22, 1983.
rat LC50 inhalation 1920mg/m3/4H (1920mg/m3)   United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0282-0430,
rat LD50 intraperitoneal 420mg/kg (420mg/kg)   Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 15, Pg. 447, 1957.

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