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6,6'-DiMethoxy-2,2'-binaphthalene

6,6'-DiMethoxy-2,2'-binaphthalene structure

CAS No:
29619-45-2
Formula:
C22H18O2
Chemical Name:
6,6'-DiMethoxy-2,2'-binaphthalene
Synonyms:
6,6'-DiMethoxy-2,2'-binaphthalene;NSC 408779;6,6′-Dimethoxy-2,2′-binaphthalenyl
Categories:
Analytical Chemistry > Standard

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6,6'-DiMethoxy-2,2'-binaphthalene Basic Attributes

Molecular Weight：

314.37712

Exact Mass：

314.131

UNII：

PQZ1W35X4K

NSC Number：

408779

DSSTox ID：

DTXSID80183800

Characteristics

PSA：

18.5

XLogP3：

Density：

1.160±0.06 g/cm3(Predicted)

Melting Point：

284℃

Safety Information

Transport codes：

UN 3077 9 / PGIII

Precautionary statement(s)：

P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P391, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Danger|H315 (97.44%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

6,6'-DiMethoxy-2,2'-binaphthalene Use and Manufacturing

6,6'-Dimethoxy-2,2'-binaphthalene, can be used for the synthesis of novel classes of non-steroidal substrate mimetics, as inhibitors of human CYP17. It is also an impurity of Nabumetone (N200500), a non-steroidal anti-inflammatory drug, acting as anti-inflammatory agent.

Computed Properties

Molecular Weight:314.4
XLogP3:6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:314.130679813
Monoisotopic Mass:314.130679813
Topological Polar Surface Area:18.5
Heavy Atom Count:24
Complexity:371
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 6,6'-DiMethoxy-2,2'-binaphthalene

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

6,6'-DiMethoxy-2,2'-binaphthalene

SDS

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