Name: 2-NITRO-2-PHENYLPROPANE-1,3-DIOL
SKU: 5428-02-4

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Basic Information

Molecular Structure:
CAS No.:	5428-02-4
Name:	2-NITRO-2-PHENYLPROPANE-1,3-DIOL
Article Data:	12

Formula:	C₉H₁₁NO₄
Molecular Weight:	197.191
Synonyms:	2-Nitro-2-phenyl-1,3-propanediol;Nitodiol;
EINECS:	410-360-4
Density:	1.337 g/cm³
Melting Point:	100-102 °C
Boiling Point:	396 °C at 760 mmHg
Flash Point:	175.7 °C
Hazard Symbols:	T,N
Risk Codes:	21/22-39-41-43-51/53-48/25
Safety:	45-53-61
PSA:	86.28000
LogP:	0.66640

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Specification

The 1,3-Propanediol,2-nitro-2-phenyl-, with the CAS registry number 5428-02-4, is also known as 2-Nitro-2-phenyl-1,3-propanediol and Nitodiol. It belongs to the product category of Propanes/propenes. Its EINECS registry number is 410-360-4. This chemical's molecular formula is C₉H₁₁NO₄ and molecular weight is 197.19. What's more, both its IUPAC name and systematic name are the same which is called 2-Nitro-2-phenylpropane-1,3-diol.

Physical properties about 1,3-Propanediol,2-nitro-2-phenyl- are: (1)ACD/LogP: 1.86; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 64.28 Å²; (7)Index of Refraction: 1.58; (8)Molar Refractivity: 49.09 cm³; (9)Molar Volume: 147.4 cm³; (10)Surface Tension: 58.4 dyne/cm; (11)Density: 1.337 g/cm³; (12)Flash Point: 175.7 °C; (13)Enthalpy of Vaporization: 68.15 kJ/mol; (14)Boiling Point: 396 °C at 760 mmHg; (15)Vapour Pressure: 5.56E-07 mmHg at 25 °C; (16)Melting Point: 100-102 °C.

When you are dealing with this chemical, you should be very careful. This chemical cause damage to health at low levels. And it may present an immediate or delayed danger to one or more components of the environment.. It is harmful in contact with skin and cause very serious irreversible effects. In addition, this chemical may cause long-term adverse effects in the aquatic environment. Therefore, you should stay only in well-ventilated areas and avoid releasing to the environment. In case of feeling unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)C(c1ccccc1)(CO)CO
(2) InChI: InChI=1/C9H11NO4/c11-6-9(7-12,10(13)14)8-4-2-1-3-5-8/h1-5,11-12H,6-7H2
(3) InChIKey: AJRYCRIQZBMNEO-UHFFFAOYAH

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Specification