Name: 4-NITROCINNAMYL ALCOHOL
SKU: 1504-63-8

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Basic Information

Molecular Structure:
CAS No.:	1504-63-8
Name:	4-NITROCINNAMYL ALCOHOL
Article Data:	32

Formula:	C₉H₉NO₃
Molecular Weight:	179.175
Synonyms:	2-Propen-1-ol,3-(p-nitrophenyl)- (6CI,7CI,8CI);1-Hydroxy-3-(4-nitrophenyl)-2-propene;3-(4-Nitrophenyl)-2-propenol;3-(4-Nitrophenyl)prop-2-en-1-ol;4-Nitrocinnamylalcohol;p-Nitrocinnamyl alcohol;
Density:	1.282 g/cm³
Melting Point:	127-128 °C(lit.)
Boiling Point:	325.3 °C at 760 mmHg
Flash Point:	144 °C
Appearance:	Powder
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	66.05000
LogP:	2.12350

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Specification

The 2-Propen-1-ol,3-(4-nitrophenyl)-, with the CAS registry number 1504-63-8, is also known as 4-Nitrocinnamyl alcohol. It belongs to the product categories of Benzhydrols, Benzyl & Special Alcohols; Aromatics Compounds; Aromatics; Acyclic; Alkenes; Organic Building Blocks. This chemical's molecular formula is C₉H₉NO₃ and molecular weight is 179.17. What's more, its systematic name is 3-(4-Nitrophenyl)prop-2-en-1-ol. The product should be sealed and stored in containers which are placed in cool and dry places. It should be protected from strong oxidizers. It should be ensured that the workshop is well ventilated or equipped with exhaust device.

Physical properties of 2-Propen-1-ol,3-(4-nitrophenyl)- are: (1)ACD/LogP: 1.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.47; (4)ACD/LogD (pH 7.4): 1.47; (5)ACD/BCF (pH 5.5): 7.78; (6)ACD/BCF (pH 7.4): 7.78; (7)ACD/KOC (pH 5.5): 151.08; (8)ACD/KOC (pH 7.4): 151.08; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 55.05 Å²; (13)Index of Refraction: 1.637; (14)Molar Refractivity: 50.22 cm³; (15)Molar Volume: 139.7 cm³; (16)Polarizability: 19.9×10^-24cm³; (17)Surface Tension: 56 dyne/cm; (18)Density: 1.282 g/cm³; (19)Flash Point: 144 °C; (20)Enthalpy of Vaporization: 59.9 kJ/mol; (21)Boiling Point: 325.3 °C at 760 mmHg; (22)Vapour Pressure: 9.47E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-(4-nitro-phenyl)-propenal. This reaction will need reagent NaBH₄ and solvent methanol. The yield is about 70%.

2-Propen-1-ol,3-(4-nitrophenyl)- can be prepared by 3-(4-nitro-phenyl)-propenal

Uses of 2-Propen-1-ol,3-(4-nitrophenyl)-: it can be used to produce γ-(4-Aminophenyl)propanol-hydrochlorid. It will need reagent H₂ and solvent methanol. This reaction will also need catalyst Raney-Ni. The yield is about 78%.

2-Propen-1-ol,3-(4-nitrophenyl)- can be used to produce γ-(4-Aminophenyl)propanol-hydrochlorid

When you are using this chemical, please be cautious about it as the following:
It 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 wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1C=CCO)[N+](=O)[O-]
(2)InChI: InChI=1S/C9H9NO3/c11-7-1-2-8-3-5-9(6-4-8)10(12)13/h1-6,11H,7H2/b2-1+
(3)InChIKey: LGXXEDSIJZHDBN-OWOJBTEDSA-N