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FluoroBora I

FluoroBora I structure

CAS No:
75806-94-9
Formula:
C18H19BN2O4S
Chemical Name:
FluoroBora I
Synonyms:
Boronic acid,B-[3-[[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]amino]phenyl]-;Boronic acid,[3-[[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]amino]phenyl]-;B-[3-[[[5-(Dimethylamino)-1-naphthalenyl]sulfonyl]amino]phenyl]boronic acid;FluoroBora I;[(m-Dansylamino)phenyl]boronic acid;DAPB;(3-(5-(Dimethylamino)naphthalene-1-sulfonamido)phenyl)boronic acid;80496-39-5;84030-11-5
Categories:
Organic Chemistry > Boron Compounds

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Description

light yellow crystalline solid

FluoroBora I Basic Attributes

Molecular Weight：

370.23

Exact Mass：

370.23

EC Number：

278-319-1

DSSTox ID：

DTXSID00226723

HScode：

2935009090

Characteristics

PSA：

98.2

XLogP3：

2.54020

Density：

1.39g/cm3

Boiling Point：

599.3ºC at 760 mmHg

Flash Point：

316.3ºC

Refractive Index：

1.685

Storage Conditions：

2-8°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36-24/25-22

Marks：

Stability/Shelf Life：

Stable. Incompatible with strong oxidizing agents.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

DNS-ABBA

FluoroBora I Use and Manufacturing

Carbohydrate ligand in cell studies1; potent boronic acid serine protease inhibitor.2

Computed Properties

Molecular Weight:370.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:370.1158584
Monoisotopic Mass:370.1158584
Topological Polar Surface Area:98.2
Heavy Atom Count:26
Complexity:566
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes