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11113-50-1

Basic Information
CAS No.: 11113-50-1
Name: Boric acid
Article Data: 800
Cas Database
Molecular Structure:
Molecular Structure of 11113-50-1 (Boric acid)
Formula: BH3O3
Molecular Weight: 61.833
Synonyms: UNII-R57ZHV85D4;
EINECS: 234-343-4
Density: 1.437 g/cm3
Melting Point: 170.9oC
Boiling Point: N/A
Flash Point: N/A
Solubility: 49.5 g/L (20℃)
Appearance: White powder
Hazard Symbols: R60:;
Risk Codes:  T:Toxic;
">  T:Toxic;
Safety:
Transport Information: N/A
PSA: 60.69000
LogP: -2.05180
Synthetic route
916730-63-7

1-boranyl-1,3,5-triaza-7-phosphaadamantane

A

11113-50-1

boric acid

B

53597-69-6

(1,3,5-triaza-7-phosphaadamantane)

Conditions
ConditionsYield
In water; acetone B-complex reacted with water in acetone/water (1:1) at 80°C for ca. 48 h; detn. by IR, 11B-NMR;A 100%
B n/a
In acetone slow reaction of B-complex with water; acceleration at higher temp.;A 100%
B n/a
4262-38-8

1,3,5,7-Tetra-tert-butyl-2,4,6,8-tetrachloro-[1,3,5,7,2,4,6,8]tetrazatetraborocane

A

11113-50-1

boric acid

B

75-64-9

tert-butylamine

Conditions
ConditionsYield
With water In further solvent(s) byproducts: HCl; solvent cyclohexanol, in tube 20.5 h at 160°C;A n/a
B 97%
With H2O In further solvent(s) byproducts: HCl; solvent cyclohexanol, in tube 20.5 h at 160°C;A n/a
B 97%
With water In xylene byproducts: HCl; in tube 20.5 h boiling;A n/a
B 62%
With H2O In xylene byproducts: HCl; in tube 20.5 h boiling;A n/a
B 62%
27120-66-7

closo-1-sulfinic acid-1,12-dicarbadodecaborane(12)

7722-84-1

dihydrogen peroxide

A

226255-50-1

closo-1,12-(H)2-1,12-C2B10(OH)10

B

396695-66-2

closo-2,3,4,5,6,7,8,9,10,11-decahydroxy-1-sulfonic acid-1,12-dicarbadodecaborane(12)

C

11113-50-1

boric acid

Conditions
ConditionsYield
In water aq. 30% H2O2 added to B compd.; refluxed for 3.5 h; monitored by (11)B NMR spectra; cond. HBr added; stirred (room temp., 2 h); kept. (80°C, 8 h); Br2 removed by N2 steam; volatiles removed in vac.; triturated in MeOH; centrifuged; supernatant sepd.; repeated 5 times; residue dissolved in water; filtered; dried;A 5%
B 88%
C 3%

[Pt((c-C5H9)7Si7O10(OH)2)(C6H5)(1,2-bis(diphenylphosphino)ethane)]

5720-07-0

4-methoxyphenylboronic acid

[Pt(C6H4OCH3-p)(C6H5)(1,2-bis(diphenylphosphino)ethane)]*H2O

B

11113-50-1

boric acid

Conditions
ConditionsYield
In tetrahydrofuran byproducts: (c-C5H9)7Si7O9(OH)3; (Ar); std. Schlenk technique; B compd. was added to soln. of Pt complex in THF; heated at 60°C for 30 min; concd. (vac.); hexane added; cooled at -20°C; filtered; washed (H2O); dried (vac.); elem. anal.;A 88%
B n/a
In benzene-d6 byproducts: (c-C5H9)7Si7O9(OH)3; (Ar); std. Schlenk technique; mixt. of B compd. and Pt complex in C6D6 was heated at 60°C for 30 min; NMR monitoring;
In tetrahydrofuran-d8 byproducts: (c-C5H9)7Si7O9(OH)3; (Ar); std. Schlenk technique; mixt. of B compd. and Pt complex in THF-d8was heated at 60°C for 15 min; NMR monitoring;
1666-13-3

diphenyl diselenide

4844-17-1

2,4,5-triphenyl-1,3-dioxoborole

A

11113-50-1

boric acid

B

84-11-7

9,10-phenanthrenequinone

Conditions
ConditionsYield
In benzene Irradiation (UV/VIS); irrdn. for 2 h 40 min with a 450 W medium pressure mercury lamp (290 to 330 nm), under Ar; extn. (aq. NaOH), dried (Na2SO4), evapd., crystn. from hexane, yields 9,10-phenanthraquinone;A n/a
B 84%

[(Pt(Ph)(1,5-cyclooctadiene))2(μ-OH)](BF4)

182482-25-3

2,4,6-trifluorophenylboronic acid

899439-56-6

Pt(C6H2F3-2,4,6)(Ph)(1,5-cyclooctadiene)

B

11113-50-1

boric acid

Conditions
ConditionsYield
In water; toluene room temp., 1 h, toluene/H2O = 100/1;A 83%
B n/a
In toluene under inert atm. to suspn. Pt complex in toluene water and (C6H2F3-2,4,6)B(OH)2 were added and stirred at room temp. for 1 h; solvent was evapd., residue was extd. by CDCl3; product was identified by NMR;A 83%
B n/a

cesium(1+)*arachno-6-SB9H12(1-)

A

arachno-4-SB8H12

B

11113-50-1

boric acid

Conditions
ConditionsYield
With hydrogenchloride; formaldehyd In dichloromethane; water byproducts: H2, CH3OH; addn. of CH2Cl2, aq. soln. of CH2O and aq. HCl to suspn. of B-compd. in H2O, stirring (ambient temp., 20 min); sepn. of CH2Cl2 layer, drying (CaCl2), evapn. to dryness, sublimation (25°C, 1.3 Pa, cold surface at -70°C);A 81%
B n/a
31139-16-9

cyanoborane

A

74-90-8

hydrogen cyanide

B

1333-74-0

hydrogen

C

11113-50-1

boric acid

Conditions
ConditionsYield
hydrolysis at 90-95°C;A 60%
B 80%
C 60%
1111-47-3

tris(triphenylsiloxy)borane

11113-50-1

boric acid

Conditions
ConditionsYield
With acetic acid In benzene byproducts: triphenylacetoxysilane; reflux for 3h, molar ratio B-compd.:AcOH=1:3; H3BO3 pptd., elem. anal.;78%
1259401-57-4

[Pt((c-C5H9)7Si7O10(OH)2)(C6H5)(2,2'-bipyridine)]

5720-07-0

4-methoxyphenylboronic acid

[Pt(C6H4OCH3-p)(C6H5)(2,2'-bipyridine)]*H2O

B

11113-50-1

boric acid

Conditions
ConditionsYield
In tetrahydrofuran byproducts: (c-C5H9)7Si7O9(OH)3; (Ar); std. Schlenk technique; B compd. was added to soln. of Pt complex in THF; heated at 60°C for 4 h; concd. (vac.); hexane added; cooled at -20°C; filtered; washed (H2O); dried (vac.); elem. anal.;A 75%
B n/a
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Specification

The Boric acid, with the CAS registry number 11113-50-1, is also known as UNII-R57ZHV85D4 .It belongs to the product categories of UVCBs-inorganic.Its EINECS number is 234-343-4.This chemical's molecular formula is H3BO3 and molecular weight is 61.83. What's more,Its systematic name is Boric acid.

The Boric acid has many various application, such as in personal care products, food additives, biological insecticides & antiputrefactiva. Except these, it is also used in the glass, ceramics, rubber, fertilisers, flame retardants, paints, industrial fluids, brake fluids, soldering products, film developers and so on.And it is among one kind of 8 Substances of Very High Concern which is issued by the ECHA, as this chemical could cause very serious danger to people's health, including being carcinogenic, inducing the organism's mutation, damage to genital system and so on.

Physical properties about Boric acid are:(1)ACD/LogP: -0.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.61; (4)ACD/LogD (pH 7.4): -0.62; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.385; (11)Molar Refractivity: 10.083 cm3; (12)Molar Volume: 43.003 cm3; (13)Surface Tension: 59.1980018615723 dyne/cm; (14)Density: 1.438 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES:B(O)(O)O;
(2)Std. InChI:InChI=1S/BH3O3/c2-1(3)4/h2-4H;
(3)Std. InChIKey:KGBXLFKZBHKPEV-UHFFFAOYSA-N.