CAS No.91-66-7,N,N-Diethylaniline Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	91-66-7
Name:	N,N-Diethylaniline
Article Data:	261

Formula:	C₁₀H₁₅N
Molecular Weight:	149.236
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;
EINECS:	202-088-8
Density:	0.93 g/cm³
Melting Point:	-38 °C
Boiling Point:	213.5 °C at 760 mmHg
Flash Point:	97.8 °C
Solubility:	14 g/L (12 °C) in water
Appearance:	pale yellow to brown liquid
Hazard Symbols:	T, N
Risk Codes:	23/24/25-33-51/53
Safety:	28-37-45-61-28A
Transport Information:	UN 2432 6.1/PG 3
PSA:	3.24000
LogP:	2.53280

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Consensus Reports

Reported in EPA TSCA Inventory.

Standards and Recommendations

DOT Classification: 6.1; Label: KEEP AWAY FROM FOOD

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)	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.