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Phen-d5-ol

Phen-d5-ol structure

CAS No:
4165-62-2
Formula:
C6HD5O
Chemical Name:
Phen-d5-ol
Synonyms:
Phen-2,3,4,5,6-d5-ol;Phen-d5-ol;Pentadeuteriophenol;2,3,4,5,6-Pentadeuteriophenol
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

solid

Phen-d5-ol Basic Attributes

Molecular Weight：

99.142

Exact Mass：

99.073250

DSSTox ID：

DTXSID30108801

Characteristics

PSA：

20.23000

XLogP3：

1.48

Density：

1.1±0.1 g/cm3

Melting Point：

40-42ºC(lit.)

Boiling Point：

181.8±0.0 °C at 760 mmHg

Flash Point：

79.4±0.0 °C

Refractive Index：

1.553

Safety Information

Transport codes：

UN 1671 6.1/PG 2

wgk germany：

hazard class code：

R23/24/25

safety instructions：

S26-S28-S45-S24/25-S36-S37-S39

Marks：

T,C

Stability/Shelf Life：

Stable, but may be moisture sensitive. May be light sensitive. Combustible. Incompatible with strong oxidizing agents.

Precautionary statement(s)：

Missing Phrase - N15.00950417-P260-P280-P303 + P361 + P353-P304 + P340 + P310-P305 + P351 + P338

Hazard Statements：

H301 + H311 + H331-H314-H341-H373-H411

Phen-d5-ol Use and Manufacturing

Phenol-d5 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.

Computed Properties

Molecular Weight:99.14
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:99.073248540
Monoisotopic Mass:99.073248540
Topological Polar Surface Area:20.2
Heavy Atom Count:7
Complexity:46.1
Isotope Atom Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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