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29809-11-8

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Basic Information
CAS No.: 29809-11-8
Name: PHENOL (1-13C)
Article Data: 3
Molecular Structure:
Molecular Structure of 29809-11-8 (PHENOL (1-13C))
Formula: C513CH6O
Molecular Weight: 95.102
Synonyms: Phenol (1-13C);
Density: 1.071 g/cm3
Melting Point: 40-42 °C (lit.)
Boiling Point: 182 °C at 760mmHg
Hazard Symbols: ToxicT, CorrosiveC
Risk Codes: 23/24/25-34-48/20/21/22-68
Safety: 24/25-26-28-36/37/39-45
Transport Information: UN 1671
PSA: 20.23000
LogP: 1.39220
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Specification

The Phenol-1-13C, with the CAS registry number of 29809-11-8, is also known as Phenol (1-13C). It belongs to the product categories of Alphabetical Listings; P; Stable Isotopes. This chemical's molecular formula is C513CH6O and molecular weight is 95.1039.

Physical properties about Phenol-1-13C are: (1)#H bond acceptors: 0; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 0; (4)Polar Surface Area: Å2; (5)Index of Refraction: 1.553; (6)Molar Refractivity: 28.13 cm3; (7)Molar Volume: 87.8 cm3; (8)Surface Tension: 40.9 dyne/cm; (9)Density: 1.071 g/cm3.

Uses: it is used to produce other chemicals. For example, it is used to produce 2-(Phenoxy-1-(13)C)ethanol in a Carius tube. The reaction time is 48 hours with reaction temperature of 40-45 °C. The yield is about 91 %.

 

When you are using this chemical, please be cautious about it as the following:
This chemical may cause burns. In addition, this chemical is toxic by inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: c1ccc(cc1)O
(2) InChI: InChI=1/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H/i6+1
(3) InChIKey: ISWSIDIOOBJBQZ-PTQBSOBMES