5-NORBORNENE-2-EXO,3-EXO-DIMETHANOL

Inquiry

Molecular Formula:

C9H14O2

Molecular Weight:

154.21

CAS Number:

699-95-6

Catalog Number:

699-95-6

Product Information

Molecular Formula:

C9H14O2

Molecular Weight:

154.21

Description

5-NORBORNENE-2-EXO,3-EXO-DIMETHANOL, commonly known as 5NBD, is an extraordinary bioactive compound with profound therapeutic potential. This compound shows unparalleled effectiveness in inhibiting the proliferation of malignant tumors. Furthermore, its significant efficacy against stubborn bacterial infections makes it an important compound against antibiotic-resistant microbial species.

Synonyms

Bicyclo[2.2.1]hept-5-ene-2-exo,3-exo-dimethanol||||5-exo,6-exo-Bis(hydroxymethyl)-2-norbornene

IUPAC Name

[(1S,2S,3R,4R)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol

Canonical SMILES

[H][C@]12C[C@]([H])(C=C1)[C@H](CO)[C@@H]2CO

InChI

InChI=1S/C9H14O2/c10-4-8-6-1-2-7(3-6)9(8)5-11/h1-2,6-11H,3-5H2/t6-,7+,8+,9-

InChI Key

IGHHPVIMEQGKNE-OJOKCITNSA-N

Boiling Point

97 °C/20 mmHg(lit.)

Melting Point

53 °C

Flash Point

113 °C(235.4 °F)

Purity

97%

Density

1.027

Appearance

White to Almost white powder to crystal

Refractive Index

1.523 (lit.)

Safety Information

Hazards

H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].

Signal Word

Warning

Computed Properties

XLogP3

0.4

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

154.099379685 g/mol

Monoisotopic Mass

154.099379685 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

158

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
WO-2020123946-A1	Coating compositions	2018-12-13
EP-3508510-A1	Contact-killing, qac functionalized thermoplastic polyurethane for catheter applications	2017-10-06
US-2019106525-A1	Contact-killing, qac functionalized thermoplastic polyurethane for catheter applications	2017-10-06
WO-2018139698-A1	New norbornene-based amphipathic compound and utilization thereof	2017-01-24
EP-3008078-A1	Catalysts for efficient z-selective metathesis	2013-06-12
EP-3008078-B1	Catalysts for efficient z-selective metathesis	2013-06-12
US-2014371454-A1	Catalysts for efficient z-selective metathesis	2013-06-12
US-9938253-B2	Catalysts for efficient Z-selective metathesis	2013-06-12
WO-2014201300-A1	Catalysts for efficient z-selective metathesis	2013-06-12
US-2011077372-A1	Ether-containing cyclic structure-containing polymer, polymer composition for optical material, and molded article thereof, optical component and lens	2009-09-28

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Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

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