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CAS No.: | 939-90-2 |
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Name: | TRANS-2-PHENYL-1-CYCLOPROPANECARBOXYLIC ACID |
Article Data: | 41 |
Molecular Structure: | |
Formula: | C10H10O2 |
Molecular Weight: | 162.188 |
Synonyms: | Cyclopropanecarboxylicacid, 2-phenyl-, trans- (8CI);(?à)-trans-2-Phenyl-1-cyclopropanecarboxylic acid;NSC 40846;trans-2-Phenyl-1-cyclopropanecarboxylic acid;trans-2-Phenylcyclopropane-1-carboxylic acid;trans-2-Phenylcyclopropanecarboxylic acid; |
EINECS: | 213-366-3 |
Density: | 1.25 g/cm3 |
Melting Point: | 86-88 °C(lit.) |
Boiling Point: | 317.1 °C at 760 mmHg |
Flash Point: | 144.3 °C |
Appearance: | White to beige crystalline powder |
Hazard Symbols: | Xi |
Safety: | 22-24/25 |
PSA: | 37.30000 |
LogP: | 1.87470 |
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The Cyclopropanecarboxylicacid, 2-phenyl-, (1R,2R)-rel-, with the CAS registry number 939-90-2, is also known as 2-Phenylcyclopropanecarboxylic acid. It belongs to the product categories of Cyclopropanes; Simple 3-Membered Ring Compounds; C10; Carbonyl Compounds; Carboxylic Acids. Its EINECS registry number is 213-366-3. This chemical's molecular formula is C10H10O2 and molecular weight is 162.19. Its IUPAC name is called (1R,2R)-2-phenylcyclopropane-1-carboxylic acid. What's more, this chemical is white to beige crystalline powder. The product should be sealed and stored in cool and dry place.
Physical properties of Cyclopropanecarboxylicacid, 2-phenyl-, (1R,2R)-rel-: (1)ACD/LogP: 1.73; (2)ACD/LogD (pH 5.5): 1.14; (3)ACD/LogD (pH 7.4): -0.62; (4)ACD/BCF (pH 5.5): 3.12; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 53.4; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.6; (12)Molar Refractivity: 44.38 cm3; (13)Molar Volume: 129.6 cm3; (14)Surface Tension: 54.6 dyne/cm; (15)Density: 1.25 g/cm3; (16)Flash Point: 144.3 °C; (17)Enthalpy of Vaporization: 58.96 kJ/mol; (18)Boiling Point: 317.1 °C at 760 mmHg; (19)Vapour Pressure: 0.000165 mmHg at 25°C.
When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes. You should not breathe its dust. In addition, you must avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1C(C1C(=O)O)C2=CC=CC=C2
(2)Isomeric SMILES: C1[C@H]([C@@H]1C(=O)O)C2=CC=CC=C2
(3)InChI: InChI=1S/C10H10O2/c11-10(12)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,11,12)/t8-,9+/m0/s1
(4)InChIKey: AHDDRJBFJBDEPW-DTWKUNHWSA-N