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CAS No.: | 17754-90-4 |
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Name: | 4-(Diethylamino)salicylaldehyde |
Article Data: | 23 |
Molecular Structure: | |
Formula: | C11H15NO2 |
Molecular Weight: | 193.246 |
Synonyms: | Salicylaldehyde,4-(diethylamino)- (6CI,8CI);4-(Diethylamino)-2-hydroxybenzaldehyde;4-(N,N-Diethylamino)-2-hydroxybenzaldehyde;p-(Diethylamino)salicylaldehyde; |
EINECS: | 241-745-3 |
Density: | 1.133 g/cm3 |
Melting Point: | 60-62 °C(lit.) |
Boiling Point: | 328.288 °C at 760 mmHg |
Flash Point: | 152.343 °C |
Solubility: | Easily soluble in ethanol, acetone; soluble in benzene, ether, diluted hydrochloric acid; slightly soluble in water |
Appearance: | beige to purple crystalline powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39 |
PSA: | 40.54000 |
LogP: | 2.05090 |
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The 4-(Diethylamino)salicylaldehyde, with the CAS registry number 17754-90-4, is also known as 2-Hydroxy-4-diethylaminobenzaldehyde. It belongs to the product categories of Aromatic Aldehydes & Derivatives (substituted); Heterocyclic Compounds. Its EINECS number is 241-745-3. This chemical's molecular formula is C11H15NO2 and molecular weight is 193.24. What's more, its systematic name is 4-(Diethylamino)-2-hydroxybenzaldehyde. This chemical is stable at common pressure and temperature, and it should be sealed and stored in containers with dry inert gas which are placed in ventilated and dry places. Moreover, it should be protected from oxides, air and light. It is used as dye and organic intermediate.
Physical properties of 4-(Diethylamino)salicylaldehyde are: (1)ACD/LogP: 2.774; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.77; (4)ACD/LogD (pH 7.4): 2.72; (5)ACD/BCF (pH 5.5): 75.13; (6)ACD/BCF (pH 7.4): 65.92; (7)ACD/KOC (pH 5.5): 765.03; (8)ACD/KOC (pH 7.4): 671.18; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 40.54 Å2; (13)Index of Refraction: 1.602; (14)Molar Refractivity: 58.467 cm3; (15)Molar Volume: 170.534 cm3; (16)Polarizability: 23.178×10-24cm3; (17)Surface Tension: 48.03 dyne/cm; (18)Density: 1.133 g/cm3; (19)Flash Point: 152.343 °C; (20)Enthalpy of Vaporization: 59.333 kJ/mol; (21)Boiling Point: 328.288 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need to wear suitable protective gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1ccc(cc1O)N(CC)CC
(2)Std. InChI: InChI=1S/C11H15NO2/c1-3-12(4-2)10-6-5-9(8-13)11(14)7-10/h5-8,14H,3-4H2,1-2H3
(3)Std. InChIKey: XFVZSRRZZNLWBW-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
cat | LD50 | oral | > 2gm/kg (2000mg/kg) | National Technical Information Service. Vol. OTS0534448, | |
mouse | LD50 | oral | 1131mg/kg (1131mg/kg) | BEHAVIORAL: MUSCLE WEAKNESS LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: ATAXIA | National Technical Information Service. Vol. OTS0533628, |
rat | LD50 | oral | 2262mg/kg (2262mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: MUSCLE WEAKNESS | National Technical Information Service. Vol. OTS0533628, |
rat | LD50 | skin | > 2500mg/kg (2500mg/kg) | National Technical Information Service. Vol. OTS0534448, |