-
Name
3-Chlorophenylacetic acid
- EINECS 217-520-0
- CAS No. 1878-65-5
- Article Data32
- CAS DataBase
- Density 1.324 g/cm3
- Solubility methanol: 0.1 g/mL, clear, colorless
- Melting Point 76-79 °C(lit.)
- Formula C8H7ClO2
- Boiling Point 294.1 °C at 760 mmHg
- Molecular Weight 170.595
- Flash Point 131.7 °C
- Transport Information
- Appearance white shiny flakes and chunks
- Safety 26-36
- Risk Codes 36/37/38
-
Molecular Structure
-
Hazard Symbols
Xi
- Synonyms Aceticacid, (m-chlorophenyl)- (7CI,8CI);(3-Chlorophenyl)acetic acid;(m-Chlorophenyl)acetic acid;2-(3-Chlorophenyl)acetic acid;NSC 87556;
- PSA 37.30000
- LogP 1.96710
3-Chlorophenylacetic acid Chemical Properties
Molecular Structure of 3-Chlorophenylacetic acid (CAS No.933-88-0):
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Molecular Formula: C8H7ClO2
Molecular Weight: 170.59
IUPAC Name: 2-(3-Chlorophenyl)acetic acid
CAS No: 933-88-0
EINECS: 217-520-0
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 2
Polar Surface Area: 26.3 Å2
Index of Refraction: 1.569
Molar Refractivity: 42.26 cm3
Molar Volume: 128.8 cm3
Surface Tension: 49.3 dyne/cm
Density: 1.324 g/cm3
Melting Point: 77-80 ºC
Flash Point: 131.7 °C
Enthalpy of Vaporization: 56.37 kJ/mol
Boiling Point: 294.1 °C at 760 mmHg
Vapour Pressure: 0.000751 mmHg at 25°C
Solubility: Methanol: 0.1 g/mL, clear, colorless
Product Categories: Phenylacetic acid series;Aromatic Phenylacetic Acids and Derivatives;C8;Carbonyl Compounds;Carboxylic Acids
Canonical SMILES: C1=CC(=CC(=C1)Cl)CC(=O)O
InChI: InChI=1S/C8H7ClO2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKey: WFPMUFXQDKMVCO-UHFFFAOYSA-N
3-Chlorophenylacetic acid Uses
3-Chlorophenylacetic acid (CAS No.933-88-0) is used as a pharmaceutical intermediate.
3-Chlorophenylacetic acid Safety Profile
Safety Information of 3-Chlorophenylacetic acid (CAS No.933-88-0):
Hazard Codes : 
Xi
Risk Statements : 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements : 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany : 3
Hazard Note : Irritant
HS Code : 29163900
3-Chlorophenylacetic acid Specification
3-Chlorophenylacetic acid (CAS No.933-88-0), it also can be called m-Chlorophenylacetic acid ; 3-Chlorobenzeneacetic acid . It is white shiny flakes and chunks.
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