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302911-90-6

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Basic Information
CAS No.: 302911-90-6
Name: M-CRESOL-D8
Molecular Structure:
Molecular Structure of 302911-90-6 (M-CRESOL-D8)
Formula: C7D8O
Molecular Weight: 116.19
Synonyms: 3-(2H3)Methyl(O-2H5)phenol;phenol-2,3,4,6-d4-d, 5-(methyl-d3)-;3-Methylphenol-d8;M-CRESOL-D8;
Density: 1.115 g/cm3
Melting Point: 8-10 °C(lit.)
Boiling Point: 202.3 °C at 760 mmHg
Flash Point: 86.1 °C
Hazard Symbols: ToxicT
Risk Codes: 23/24/25-34
Safety: 23-26-36/37/39-45
Transport Information: UN 2076 6.1/PG 2
PSA: 20.23000
LogP: 1.70060
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    302911-90-6

    Phen-2,3,4,6-d4-ol-d,5-(methyl-d3)- (9CI)

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    Henan Wentao Chemical Product Co.,Ltd is Located in Zhengzhou High-tech Development Zone with import and export license, We passed ISO 9001:2008 as well, Henan Wentao has developed more than 1000 compounds, which are widely used in the fields of prod

    The company is Located in Zhengzhou High-tech Development Zone with import and export license, We passed ISO 9001:2008 as well, Henan Wentao has developed more than 1000 compounds,

  •  Henan Wentao Chemical Product Co., Ltd.

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    Business Type:Lab/Research institutions

    Tel:+86-370-2722992

    Address:32 Room, 5th Floor, Building 11, No. 6 Yinxing Road, High-tech Industrial Development Zone, Zhengzhou City, Henan Province

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  • Phen-2,3,4,6-d<sub>4</sub>-ol-d,5-(methyl-d<sub>3</sub>)- (9CI)

  • Casno:

    302911-90-6

    Phen-2,3,4,6-d4-ol-d,5-(methyl-d3)- (9CI)

    Min.Order: 1 Gram

    FOB Price:  USD $ 0.0-0.0

    Shandong Mopai Biotechnology Co., LTD is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemicals. W

    Shandong Mopai Biotechnology Co., LTD is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, s

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  • Phen-2,3,4,6-d<sub>4</sub>-ol-d,5-(methyl-d<sub>3</sub>)- (9CI)

  • Casno:

    302911-90-6

    Phen-2,3,4,6-d4-ol-d,5-(methyl-d3)- (9CI)

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    FOB Price:  USD $ 0.0-0.0

    factory?direct?sale Application:Fine chemical intermediates, used as the main raw material for the synthesis of various pesticides, medicines, surfactants, polymer monomers, and antifungal agents

    Antimex Chemical Limied, was founded in 2001, we are specializing in manufacturing & researching of Active pharmaceutical Ingredients,Veterinary pharm APIs,cosmetic ingredients,and

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Specification

The Phen-2,3,4,6-d4-ol-d,5-(methyl-d3)- (9CI), with the CAS registry number 302911-90-6, has the systematic name of 3-(2H3)Methyl(O-2H5)phenol. It should be stored in sealed containers, and should keep dry and cool at the same time. And the molecular formula of the chemical is C7D8O.

The characteristics of Phen-2,3,4,6-d4-ol-d,5-(methyl-d3)- (9CI) are as followings: (1)ACD/LogP: 1.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.94; (4)ACD/LogD (pH 7.4): 1.94; (5)ACD/BCF (pH 5.5): 17.62; (6)ACD/BCF (pH 7.4): 17.58; (7)ACD/KOC (pH 5.5): 271.3; (8)ACD/KOC (pH 7.4): 270.74; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: Å2; (13)Index of Refraction: 1.545; (14)Molar Refractivity: 32.95 cm3; (15)Molar Volume: 104.1 cm3; (16)Polarizability: 13.06×10-24cm3; (17)Surface Tension: 38.8 dyne/cm; (18)Density: 1.115 g/cm3; (19)Flash Point: 86.1 °C; (20)Enthalpy of Vaporization: 45.64 kJ/mol; (21)Boiling Point: 202.3 °C at 760 mmHg; (22)Vapour Pressure: 0.207 mmHg at 25°C.

You should be cautious while dealing with this chemical. It is toxic by inhalation, in contact with skin and if swallowed, and it may also cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer); In case of accident or if you feel unwell, seek medical advice immediately (show label where possible). 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [2H]c1c([2H])c([2H])c(c([2H])c1O[2H])C([2H])([2H])[2H]
(2)InChI: InChI=1/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3/i1D3,2D,3D,4D,5D/hD
(3)InChIKey: RLSSMJSEOOYNOY-IWRLGKISEF