CAS 23020-15-7 2-Phenyl-1-cyclopropanecarboxylic acid, (1S-trans)- (HCID 778517)

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Basic information

CAS: 23020-15-7
Standard SMILES: O=C(O)[C@H]1C[C@@H]1c1ccccc1
InChIKey: AHDDRJBFJBDEPW-BDAKNGLRSA-N
Molecular formula: C10H10O2
Average molar mass: 162.18 g/mol

Names & identifiers

Preferred name: 2-Phenyl-1-cyclopropanecarboxylic acid, (1S-trans)-
IUPAC: trans-(1S,2S)-2-phenylcyclopropane-1-carboxylic acid
English name: (1S,2S)-2-Phenylcyclopropane-1-carboxylic acid
Molecular formula: C10H10O2
Molecular weight: 162.19

Names & synonyms

(1s,2s)-2-phenylcyclopropanecarboxylic acid23020-15-7(1S,2S)-2-phenylcyclopropane-1-carboxylic acidCyclopropanecarboxylic acid, 2-phenyl-, (1S,2S)-89U9JC5NLS2-Phenyl-1-cyclopropanecarboxylic acid, (1S-trans)-(1S-trans)-2-Phenylcyclopropanecarboxylic acid(+)-trans-2-Phenyl-1-cyclopropanecarboxylic acid2-Phenyl-1-cyclopropanecarboxylic acid, trans-(+)-RefChem:478003821-598-7MFCD12195831

Show more names

1α-Phenyl-2β-cyclopropanecarboxylic acid(1S,2S)-2-phenylcyclopropane-1-carboxylic acid - [P85415](1R,2R)-2-phenylcyclopropane-1-carboxylic acid ((1S,?2S)?-?(+)?-?trans-?2-?phenylcyclopropaneca?rboxylic acid)

UNII-89U9JC5NLSSCHEMBL1172743AS-472602-Phenylcyclopropanecarboxylic acid, transCyclopropanecarboxylic acid, 2-phenyl-, trans-F12973Cyclopropanecarboxylic acid,CHEMBL3786890

Database identifiers

CAS: 23020-15-7

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 182

Physicochemical properties

Melting point: 49.5 · 49.5-50.5 °C
Boiling point: 125 · 125-135 °C(Press: 0.05 Torr)
Density: 1.25 · 1.250±0.06 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
pka: 4.57 · 4.57±0.10(Predicted)
Appearance: White to off-white Solid
FDA UNII: 89 U9JC5NLS · 89U9JC5NLS
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.