1-Phenylcyclopropanecarboxylic acid
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1-Phenylcyclopropanecarboxylic acid
structure -
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CAS No:
6120-95-2
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Formula:
C10H10O2
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Chemical Name:
1-Phenylcyclopropanecarboxylic acid
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Synonyms:
Cyclopropanecarboxylic acid,1-phenyl-;1-Phenylcyclopropanecarboxylic acid;1-Phenyl-1-cyclopropanecarboxylic acid;NSC 154619;1-Phenylcyclopropylcarboxylic acid
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CAS No:
1-Phenylcyclopropanecarboxylic acid Basic Attributes
162.19
162.19
228-090-9
154619
DTXSID10210118
2916399090
Characteristics
37.3
1.7
white to tan powder
1.3±0.1 g/cm3
84.8-86.1 °C @ Solvent: Water
309.3°C at 760 mmHg
141.2±16.7 °C
1.608
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Safety Information
NONH for all modes of transport
3
S24/25
Xi
Stable under normal temperatures and pressures.
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|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 7 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1-Phenylcyclopropanecarboxylic acid Use and Manufacturing
Step (vi): Synthesis of 1-phenylcyclopropanecarboxylic acidExperimental procedure: To a solution of 1-phenylcyclopropanecarbonitrile (7 g, mmoles) was added water (15 mL), acetic acid (15 mL) and sulfuric acid (15 mL). The contents were then refluxed at 110 °C over night. The reaction mixture was extracted with ethyl acetate and the organic layer was washed with brine solution (2 x 50 mL), dried over NaPotassium hydroxide solution in water (50percent, 100 mL) was added into a solution of 1- phenylcyclopropanecarbonitrile (20 g) in ethanol (100 mL) at room temperature. The reaction mixture was stirred at 100°C for 16 hours before being cooled to room temperature. The reaction mixture was concentrated to remove ethanol and the aqueous layer was washed with dichloromethane (2 x 200 mL). The aqueous layer was slowly neutralized with concentrated HCl and pH was adjusted to 3-4. The solid obtained was filtered, washed with water (3 x 50 mL) and dried under vacuum to get desired 1- phenylcyclopropanecarboxylic acid (12 g) as white solid. ^- MR (CDC13): δ 1.26-1.30 (m, 2H), 1.59-1.66 (m, 2H), 7.20-7.30 (m, 5H), 8.6 (s, 1H). MS: 163 (M + H)
Computed Properties
Molecular Weight:162.18
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:162.068079557
Monoisotopic Mass:162.068079557
Topological Polar Surface Area:37.3
Heavy Atom Count:12
Complexity:188
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Business licensedTrader Supplier of Aromatic compounds | Boronic Acids | Pyridine DeriInquiryCAS No.: 6120-95-2Grade: Industrial GradeContent: 98%
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1-Phenylcyclopropanecarboxylic acid
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