

1-Adamantanecarboxylic acid
Catalog No: FT-0607296
CAS No: 828-51-3
- Molecular Formula: 180.24
- Formula Weight: C11H16O2
- Inchl Key: JIMXXGFJRDUSRO-UHFFFAOYSA-N
- Inchl: InChI=1S/C11H16O2/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H,12,13)
Assay | Pack | Price | Stock | Action |
---|---|---|---|---|
98% | 1g | N/A | N/A | |
98% | 5g | N/A | N/A | |
98% | Bulk Quantity | N/A | N/A |
Bolling_Point: | 304.7±10.0 °C at 760 mmHg |
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MF: | C11H16O2 |
Density: | 1.2±0.1 g/cm3 |
FW: | 180.243 |
Product_Name: | Adamantane-1-carboxylic acid |
CAS: | 828-51-3 |
Flash_Point: | 142.0±13.7 °C |
Melting_Point: | 172-174 °C(lit.) |
Bolling_Point: | 304.7±10.0 °C at 760 mmHg |
---|---|
LogP: | 2.60 |
More_Info: | ['1 . Appearance 结晶。 ', '2 . Density(g/mL,25/4℃)Unknow ', '3 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '4 . Melting point(ºC)180 ', '5 . Boiling point(ºC,Atmospheric pressure)Unknow ', '6 . Boiling point(ºC, 52kPa)Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point(ºC)Unknow ', '9 . Specific rotation(º )Unknow ', '10 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '11 . Vapor pressure(kPa,25ºC)Unknow ', '12 . Saturated vapor pressure(kPa,60ºC)Unknow ', '13 . Combustion heat(KJ/mol)Unknow ', '14 . Critical temperature(ºC)Unknow ', '15 . Critical pressure(KPa)Unknow ', '16 . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion(%,V/V)Unknow ', '18 . Lower limit of explosion(%,V/V)Unknow ', '19 . Solubility Insoluble in Water 。'] |
Computational_Chemistry: | ['1 . XlogP 26 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 1 ', '5 . TPSA 373 ', '6 . Heavy Atom Count 13 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 216 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1'] |
Melting_Point: | 172-174 °C(lit.) |
Vapor_Pressure: | 0.0±1.4 mmHg at 25°C |
Exact_Mass: | 180.115036 |
MF: | C11H16O2 |
Density: | 1.2±0.1 g/cm3 |
Refractive_Index: | 1.573 |
PSA: | 37.30000 |
Flash_Point: | 142.0±13.7 °C |
Molecular_Structure: | ['1 . Molar refractive index 4823 ', '2 . Molar volume 1464 ', '3 . Parachor (902K)3944 ', '4 . Surface tension 526 ', '5 . Polarizability 1912'] |
FW: | 180.243 |
Safety_Statements: | S22-S24/25 |
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HS_Code: | 2916209090 |
WGK_Germany: | 3 |
Personal_Protective_Equipment: | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
RTECS: | AU4452200 |
RIDADR: | NONH for all modes of transport |
Risk_Statements(EU): | R36/37/38 |
Hazard_Codes: | Xi: Irritant; |
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