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| CAS No.: | 6306-07-6 |
|---|---|
| Name: | 1-ACENAPHTHENOL |
| Molecular Structure: | |
|
|
|
| Formula: | C12H10 O |
| Molecular Weight: | 170.211 |
| Synonyms: | 1-Acenaphthenol(6CI,7CI,8CI);1-Acenaphthylenol, 1,2-dihydro-, (?à)-;(?à)-1-Acenaphthenol;(?à)-Acenaphthenol;1,2-Dihydro-1-acenaphthylenol;1-Acenaphthol;NSC 22834; |
| EINECS: | 228-618-8 |
| Density: | 1.29g/cm3 |
| Melting Point: |
145-148 °C(lit.) |
| Boiling Point: | 369.2oC at 760 mmHg |
| Flash Point: | 129oC |
| Solubility: | almost insoluble |
| Appearance: | white to cream solid |
| PSA: | 20.23000 |
| LogP: | 2.42930 |
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| Conditions | Yield |
|---|---|
| With hydrogen In methanol at 100℃; under 30003 Torr; Temperature; Autoclave; | 94.2% |
| With sodium tetrahydroborate In methanol at 20℃; for 2h; | 87% |
| With hydrogen; nickel at 230℃; |
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate; titanium tetrachloride In 1,2-dimethoxyethane Ambient temperature; | 88% |
| With oxygen; tetraethylammonium borohydride; 5,10,15,20-tetraphenyl-21H,23H-porphine cobalt(II) In 1,2-dimethoxyethane; isopropyl alcohol for 192h; Ambient temperature; | 76% |
| With sodium tetrahydroborate; oxygen; (pyridine)Co(dimethylglyoxime)2Cl In 1,2-dimethoxyethane for 20h; | 11% |
| With sodium tetrahydroborate; tin(IV) chloride |
- 67-56-1
methanol
- 83-32-9
acenaphthene
A
- 21857-35-2
1-methoxyacenaphthene
B
- 6306-07-6
1-acenaphthenol
C
- 2235-15-6
1(2H)-acenaphthylenone
| Conditions | Yield |
|---|---|
| With ammonium cerium(IV) nitrate; oxygen In water at 20℃; for 0.0833333h; | A 14% B 12% C 59% |
| Conditions | Yield |
|---|---|
| With N-hydroxyphthalimide; 1,4-diamino-2,3-dichloroanthraquinone; oxygen In acetonitrile at 80℃; under 1875.15 - 2250.18 Torr; for 10h; | A 25 % Chromat. B 54% |
| With N-hydroxyphthalimide; bromine; oxygen; acridine yellow In acetonitrile at 100℃; under 2250.18 Torr; for 24h; | |
| With Cr2O4(2-)*Cu(2+); dihydrogen peroxide In acetonitrile at 50℃; for 10h; |
| Conditions | Yield |
|---|---|
| With samarium diiodide; water In tetrahydrofuran at 20℃; for 0.00277778h; | A 41% B 26% C 23% |
- 82-86-0
acenaphthene quinone
A
- 191-48-0
decacyclene
B
- 6306-07-6
1-acenaphthenol
C
- 83-32-9
acenaphthene
D
- 208-96-8
acenaphthylene
| Conditions | Yield |
|---|---|
| bis(η6-biphenyl)titanium(0) In toluene at 110℃; for 2h; Further byproducts given; | A 21% B 10% C 11% D 31% |
- 14966-36-0
1-acetoxyacenaphthene
- 6306-07-6
1-acenaphthenol
| Conditions | Yield |
|---|---|
| With sodium hydroxide |
| Conditions | Yield |
|---|---|
| With lead dioxide; acetic acid | |
| With lead(II,IV) oxide; acetic acid at 60 - 70℃; Verseifen des Acetats mit waessrig-methylalkoholischer Natronlauge; | |
| Multi-step reaction with 2 steps 1: Pb3O4 / 60 - 70 °C 2: aqueous methanol. NaOH View Scheme | |
| Multi-step reaction with 2 steps 1: glacial acetic acid; lead (IV)-acetate 2: aqueous methanol. NaOH View Scheme | |
| Stage #1: acenaphthene With water In acetone for 2h; Darkness; Stage #2: In acetone for 8h; Irradiation; |
| Conditions | Yield |
|---|---|
| With diethyl ether |
- 24171-73-1
1-bromoacenaphthene
- 6306-07-6
1-acenaphthenol
| Conditions | Yield |
|---|---|
| (i) MeCN, NaCN, (ii) aq. NaCl; Multistep reaction; |
- Total:35 Page 1 of 1 1
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Specification
The 1-Acenaphthenol,with the CAS registry number 6306-07-6,is also known as 1,2-Dihydroacenaphthylen-1-ol.It belongs to the product categories of Aromatic Phenols,Pharmaceutical Intermediates.Its EINECS number is 228-618-8.This chemical's molecular formula is C12H10O and molecular weight is 170.2.It is Stable,Combustible,irritant and incompatible with strong oxidizing agents.
Physical properties about 1-Acenaphthenol are:(1)ACD/LogP: 1.974; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.97; (4)ACD/LogD (pH 7.4): 1.97; (5)ACD/BCF (pH 5.5): 18.63; (6)ACD/BCF (pH 7.4): 18.63; (7)ACD/KOC (pH 5.5): 282.34; (8)ACD/KOC (pH 7.4): 282.34; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.741; (13)Molar Refractivity: 53.248 cm3; (14)Molar Volume: 131.889 cm3; (15)Surface Tension: 58.023998260498 dyne/cm; (16)Density: 1.291 g/cm3; (17)Flash Point: 129.006 °C; (18)Enthalpy of Vaporization: 64.985 kJ/mol; (19)Boiling Point: 369.213 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:OC3c1c2c(ccc1)cccc2C3;
(2)InChI:InChI=1S/C12H10O/c13-11-7-9-5-1-3-8-4-2-6-10(11)12(8)9/h1-6,11,13H,7H2;
(3)InChIKey:MXUCIEHYJYRTLT-UHFFFAOYSA-N;