1-(p-Chlorophenyl)cyclopropanecarboxylic acid

HCID 98606

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Basic information

CAS: 72934-37-3
Standard SMILES: O=C(O)C1(c2ccc(Cl)cc2)CC1
InChIKey: YAHLWSGIQJATGG-UHFFFAOYSA-N
Molecular formula: C10H9ClO2
Average molar mass: 196.63 g/mol
Monoisotopic mass: 196.02910721

Names & identifiers

Preferred name: 1-(p-Chlorophenyl)cyclopropanecarboxylic acid
IUPAC: 1-(4-chlorophenyl)cyclopropane-1-carboxylic acid
English name: 1-(4-Chlorophenyl)-1-cyclopropanecarboxylic acid
Molecular formula: C10H9ClO2
Molecular weight: 196.63

Names & synonyms

1-(4-Chlorophenyl)cyclopropanecarboxylic acid72934-37-31-(p-Chlorophenyl)cyclopropanecarboxylic acidEINECS 277-105-5DTXSID10223228NSC 152142RefChem:428217DTXCID10145719277-105-5InChI=1/C10H9ClO2/c11-8-3-1-7(2-4-8)10(5-6-10)9(12)13/h1-4H,5-6H2,(H,12,131-(4-chlorophenyl)cyclopropane-1-carboxylic acid1-(4-CHLOROPHENYL)-1-CYCLOPROPANECARBOXYLIC ACID

Show more names

EOS-60319TIMTEC-BB SBB003583RARECHEM AL BO 11151-(p-Dhlorophenyl)cyclopropanecarboxylic acid.1-(4-Chlorophenyl)cyclopropan-1-carboxylic acid1-(4-Chlorophenyl)-1-cyclopropanecarboxylic Acid >

CYCLOPROPANECARBOXYLIC ACID, 1-(4-CHLOROPHENYL)-MFCD00001289NSC-1521421-(4-chloro-phenyl)-cyclopropanecarboxylic acidQ5U8CT8G8YSCHEMBL75310ALBB-010357NSC152142

Database identifiers

CAS: 72934-37-3
PubChem CID: 98606
DTXSID: DTXSID10223228
UNII: Q5U8CT8G8Y
EC Number: 277-105-5
Nikkaji: J296.420A

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 215

Physicochemical properties

Melting point: 152 · 152-155 °C
Boiling point: 152 · 152-155°C
Density: 1.204 · 1.2040 (rough estimate)
refractive index: 1.5152 · 1.5152 (estimate)
storage temp.: Inert atmosphere,Room Temperature
solubility: soluble in Methanol
pka: 4.14 · 4.14±0.20(Predicted)
form: Crystalline Powder
color: White
InChI: InChI=1S/C10H9ClO2/c11-8-3-1-7(2-4-8)10(5-6-10)9(12)13/h1-4H,5-6H2,(H,12,13)
InChIKey: YAHLWSGIQJATGG-UHFFFAOYSA-N
SMILES: C1(C2=CC=C(Cl)C=C2)(C(O)=O)CC1
CAS DataBase Reference: 72934 · 72934-37-3(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xn,Xi
Risk Statements: 36 · 36/37/38-20/22-41
Safety Statements: 37 · 37/39-26
HazardClass: IRRITANT
HS Code: 29163900 · 29163900

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.