ChemicalBook--->CAS DataBase List--->13127-88-3

13127-88-3

13127-88-3 Structure

13127-88-3 Structure
IdentificationMore
[Name]

Phenol-d6
[CAS]

13127-88-3
[Synonyms]

PHENOL D5
PHENOL-D6
D6-Phenol
(2H6)phenol
Phenol D6 1g
PHENOL-D6(SUR)
PHENOL (RING-D5)
hexadeuterophenol
Hexadeuteriophenol
PHENOL-D6 (D, 98%)
PHENOL-2,3,4,5,6-D5
PHENOL-D6, 99 ATOM % D
Phen-2,3,4,5,6-d5-ol-d
Phenol-d6 Solution, 1000μg/mL
Phenol-d6,for NMR,98+ atom % D
Phenol-d6, 98+ atom % d, for NMR
Phen-2,3,4,5,6-d5-ol-d
Phenol-d6 Discontinued: See P318003
PHENOL-D6 DEUTERATION DEGREE MIN. 98%
3-(1,4,5,6-tetrahydro-2-pyrimidinyl)​
1,2,3,4,5-pentadeuterio-6-deuteriooxybenzene
[(1R,4S)-4-[2-AMINO-6-(CYCLOPROPYLAMINO)-9H-PURIN-9-YL]CYCLOPENT-2-ENYL]METHANOL
[EINECS(EC#)]

236-063-8
[Molecular Formula]

C6HD5O
[MDL Number]

MFCD00084164
[Molecular Weight]

99.14
[MOL File]

13127-88-3.mol
Questions And AnswerBack Directory
[Synthesis]

Synthesis of 13127-88-3

Yamamoto et al. reported that phenol-D6 can be obtained by reacting phenol with heavy water under PtO2 catalysis at 250°C and 4 MPa.

Chemical PropertiesBack Directory
[Appearance]

solid
[Melting point ]

40-42 °C (lit.)
[Boiling point ]

182 °C (lit.)
[density ]

1.140 g/mL at 25 °C
[vapor density ]

3.24 (vs air)
[vapor pressure ]

0.36 mm Hg ( 20 °C)
[Fp ]

175 °F
[storage temp. ]

2-8°C
[solubility ]

84g/l
[form ]

Solid Mass (Deliquescent)
[PH]

5 (50g/l, H2O, 20℃)
[Stability:]

Stable. Incompatible with strong acids, strong bases, strong oxidizing agents.
[explosive limit]

1.3-9.5%(V)
[BRN ]

2255089
[InChI]

1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H/i1D,2D,3D,4D,5D/hD
[InChIKey]

ISWSIDIOOBJBQZ-QNKSCLMFSA-N
[SMILES]

[2H]Oc1c([2H])c([2H])c([2H])c([2H])c1[2H]
[CAS DataBase Reference]

13127-88-3(CAS DataBase Reference)
[EPA Substance Registry System]

Phenol-d6 (13127-88-3)
[CAS Number Unlabeled]

108-95-2
Safety DataBack Directory
[Hazard Codes ]

T,C,Xn
[Risk Statements ]

R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R34:Causes burns.
R48/20/21/22:Harmful: danger of serious damage to health by prolonged exposure through inhalation, and in contact with skin and if swallowed .
R68:Possible risk of irreversible effects.
R40:Limited evidence of a carcinogenic effect.
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37:Wear suitable protective clothing and gloves .
[RIDADR ]

UN 1671 6.1/PG 2
[WGK Germany ]

2
[F ]

3-8-10-23
[Autoignition Temperature]

1319 °F
[HazardClass ]

6.1(a)
[PackingGroup ]

II
[HS Code ]

28459000
[Storage Class]

6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
[Hazard Classifications]

Acute Tox. 3 Inhalation
Acute Tox. 3 Oral
Aquatic Chronic 2
Eye Dam. 1
Muta. 2
Skin Corr. 1B
STOT RE 2
Hazard InformationBack Directory
[Chemical Properties]

solid
[Uses]

Phenol is purified here for molecular genetics applications. It is naturally found in tea leaves and plants, and has uses in the synthesis of antioxidant compounds due to the antioxidant activity caus ed by the phenol moiety. This structure also allows it to be used for syntheses of anti-bacterial & anti-carcinogenic compounds. This is the labelled analog.
Spectrum DetailBack Directory
[Spectrum Detail]

Phenol-d6(13127-88-3)FT-IR
Phenol-d6(13127-88-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Phenol-d6, 98+ atom % D, for NMR(13127-88-3)
[Sigma Aldrich]

13127-88-3(sigmaaldrich)
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