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882-09-7

Basic Information
CAS No.: 882-09-7
Name: 2-(4-Chlorophenoxy)-2-methylpropionic acid
Article Data: 38
Molecular Structure:
Molecular Structure of 882-09-7 (2-(4-Chlorophenoxy)-2-methylpropionic acid)
Formula: C10H11ClO3
Molecular Weight: 214.649
Synonyms: (p-Chlorophenoxy)isobutyricacid;2-(4-Chlorophenoxy)-2-methylpropanoic acid;Clofibric acid;2-(p-Chlorophenoxy)-2-methylpropanoic acid;2-(p-Chlorophenoxy)-2-methylpropionic acid;2-(p-Chlorophenoxy)isobutyric acid;2-[(4-Chlorophenyl)oxy]-2-methylpropionic acid;4-Chlorophenoxyisobutyric acid;Arteriohom;CPIBA;Chlorfibrinic acid;Chlorofibrinic acid;Chlorophibrinic acid;Clofibrate free acid;Propionicacid, 2-(p-chlorophenoxy)-2-methyl- (6CI,7CI,8CI);
EINECS: 212-925-9
Density: 1.265 g/cm3
Melting Point: 120-122 °C(lit.)
Boiling Point: 324.1 °C at 760 mmHg
Flash Point: 149.8 °C
Appearance: pale yellow solid
Hazard Symbols: HarmfulXn, IrritantXi
Risk Codes: 22-20/21/22
Safety: 36-24/25
PSA: 46.53000
LogP: 2.58200
Synthetic route
31637-97-5

ETOFIBRATE

A

59-67-6

nicotinic acid

B

882-09-7

Clofibric acid

C

107-21-1

ethylene glycol

Conditions
ConditionsYield
With hydrogenchloride; [RuCl2(CO)2(Ph2P-3-C6H4COOH)2] In methanol; water at 75℃; for 0.333333h;A 99.1%
B n/a
C n/a
637-07-0

Clofibrate

882-09-7

Clofibric acid

Conditions
ConditionsYield
With methanol; sodium hydroxide In dichloromethane; water94%
With sodium hydroxide In tetrahydrofuran; methanol; water93%
Stage #1: Clofibrate With lithium hydroxide monohydrate; water In tetrahydrofuran at 20℃; for 16h;
Stage #2: With hydrogenchloride In tetrahydrofuran pH=~ 2;
82%
106-48-9

4-chloro-phenol

57-15-8

1,1,1-trichloro-2-methyl-2-propanol

882-09-7

Clofibric acid

Conditions
ConditionsYield
With sodium hydroxide In acetone for 16h; Ambient temperature;90%
2052-01-9

2-bromo-2-methylpropionic acid

106-48-9

4-chloro-phenol

882-09-7

Clofibric acid

Conditions
ConditionsYield
Stage #1: 4-chloro-phenol With sodium hydroxide In butanone at 50℃; for 1h;
Stage #2: 2-bromo-2-methylpropionic acid In butanone at 50℃; for 1.5h;
87%
With sodium hydroxide In ethanol for 24h; Heating;
Multistep reaction.;
Stage #1: 4-chloro-phenol With sodium hydroxide In butanone at 50℃; for 2h;
Stage #2: 2-bromo-2-methylpropionic acid In butanone at 50℃; for 12h;
60-35-5

acetamide

1-bromo-methylenediamine

36637-30-6

O-(4-chlorophenyl)hydroxylamine

882-09-7

Clofibric acid

Conditions
ConditionsYield
With sodium sulfite In hexane at 65℃; for 2.16667h; Concentration; Temperature; Reflux;85%
616-91-1

N-acetylcystein

clofibryl-S-acyl-glutathione

A

882-09-7

Clofibric acid

B

clofibryl-S-acyl-N-acetylcysteine

Conditions
ConditionsYield
With buffer at 37℃; pH=7.4;A 1%
B 75%
67-66-3

chloroform

106-48-9

4-chloro-phenol

67-64-1

acetone

882-09-7

Clofibric acid

Conditions
ConditionsYield
With sodium hydroxide for 0.416667h; grindstone chemistry;69%
With sodium hydroxide for 24h; Ambient temperature;59%
Stage #1: 4-chloro-phenol; acetone With sodium hydroxide at 20℃; for 0.5h; Reflux;
Stage #2: chloroform In acetone for 3.5h; Reflux;
Stage #3: With hydrogenchloride; water
Stage #1: 4-chloro-phenol; acetone at 20℃; for 0.0833333h;
Stage #2: With sodium hydroxide at 0℃;
Stage #3: chloroform for 5h; Reflux;
Stage #1: chloroform; 4-chloro-phenol; acetone With sodium hydroxide at 42 - 59℃; for 1.5h;
Stage #2: With hydrogenchloride pH=2;
600-00-0

ethyl 2-bromoisobutyrate

1193-00-6

sodium 4-chlorophenolate

882-09-7

Clofibric acid

Conditions
ConditionsYield
With ethanol anschliessend Erwaermen mit wss. Natronlauge;
56-23-5

tetrachloromethane

67-66-3

chloroform

106-48-9

4-chloro-phenol

67-64-1

acetone

882-09-7

Clofibric acid

106-48-9

4-chloro-phenol

67-64-1

acetone

882-09-7

Clofibric acid

Conditions
ConditionsYield
With sodium hydroxide; chloroform
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Chemistry

Molecule structure of Clofibric acid (CAS NO.882-09-7):
 
IUPAC Name: 2-(4-Chlorophenoxy)-2-methylpropanoic acid 
Molecular Weight: 214.64554 g/mol
Molecular Formula: C10H11ClO3
Density: 1.265 g/cm3 
Melting Point: 120-122 °C(lit.)
Boiling Point: 324.1 °C at 760 mmHg 
Flash Point: 149.8 °C
Index of Refraction: 1.54
Molar Refractivity: 53.25 cm3
Molar Volume: 169.5 cm3
Polarizability: 21.11×10-24 cm3
Surface Tension: 43.7 dyne/cm 
Enthalpy of Vaporization: 59.76 kJ/mol
Vapour Pressure: 0.000103 mmHg at 25 °C 
Water Solubility: 583 mg/L
XLogP3: 2.6
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 3
Exact Mass: 214.039672
MonoIsotopic Mass: 214.039672
Topological Polar Surface Area: 46.5
Heavy Atom Count: 14
Complexity: 207
Canonical SMILES: CC(C)(C(=O)O)OC1=CC=C(C=C1)Cl
InChI: InChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13)
InChIKey: TXCGAZHTZHNUAI-UHFFFAOYSA-N
EINECS: 212-925-9
Product Categories: Acids and Derivatives; Organic acids; Aromatics Compounds; Aromatics; Intermediates & Fine Chemicals; Pharmaceuticals; Intracellular receptor

Uses

 Clofibric acid (CAS NO.882-09-7) is used as intermediates for pharmaceutical Clofibrate. It also functions as a plant growth regulator against the plant hormone auxin.

Toxicity Data With Reference

1.    

dns-rat-orl 2100 mg/kg/1W-C

    CRNGDP    Carcinogenesis. 12 (1991),1557.
2.    

unk-hmn TDLo:260 mg/kg (91D):LIV

    ATHSBL    Atherosclerosis (Shannon, Ireland). 36 (1980),159.
3.    

orl-rat LD50:897 mg/kg

    ARZNAD    Arzneimittel-Forschung. Drug Research. 30 (1980),2023.
4.    

scu-rat LD50:120 mg/kg

    PHARAT    Pharmazie. 22 (1967),167.
5.    

orl-mus LD50:1170 mg/kg

    ARZNAD    Arzneimittel-Forschung. Drug Research. 27 (1977),1173.
6.    

ipr-mus LD50:290 mg/kg

    PHARAT    Pharmazie. 22 (1967),167.
7.    

scu-mus LD50:683 mg/kg

    RPTOAN    Russian Pharmacology and Toxicology. Translation of FATOAO. 33 (1970),150.

Safety Profile

Hazard Codes: HarmfulXn, IrritantXi
Risk Statements: 22-20/21/22 
R22:Harmful if swallowed. 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
Safety Statements: 36-24/25 
S36:Wear suitable protective clothing. 
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
RTECS: UE9455000
Hazard Note: Irritant
HazardClass: IRRITANT
Poison by intraperitoneal and subcutaneous routes. Moderately toxic by ingestion. Liver damage in humans by an unspecified route. Mutation data reported. When heated to decomposition it emits toxic fumes of Cl.

Specification

 Clofibric acid (CAS NO.882-09-7) is also named as 2-(4-Chlorophenoxy)-2-methylpropanoic acid ; 2-(4-Chlorophenoxy)-2-methylpropionic acid ; 2-(p-Chlorophenoxy)-2-methylpropionic acid ; 2-(p-Chlorophenoxy)isobutyric acid ; 4-(Chlorophenoxy)isobutyric acid (VAN) ; 4-06-00-00851 (Beilstein Handbook Reference) ; Acetic acid, (p-chlorophenoxy)dimethyl- ; Acide (p-chlorophenoxy)-2 methyl-2 propionique ; Acide (p-chlorophenoxy)-2 methyl-2 propionique [French] ; Acide clofibrique ; Acide clofibrique [INN-French] ; Acido clofibrico ; Acido clofibrico [INN-Spanish] ; Acidum chlorphibricum ; Acidum clofibricum ; Acidum clofibricum [INN-Latin] ; BRN 1874067 ; CCRIS 9254 ; Chlorfibrinic acid ; Chlorofibrinic acid ; Chlorophibrinic acid ; Clofibrate free acid ; Clofibrin ; Clofibrinsaeure ; Clofibrinsaeure [German] ;
NSC 1149 ; Regadrin ; Regulipid ; UNII-53PF01Q249 ; alpha-(4-(Chlorphenoxy)-2-methylpropionsaeure ; alpha-(4-Chlorophenoxy)-alpha-methylpropionic acid ; alpha-(4-Chlorophenoxy)isobutyric acid ; alpha-(p-Chlorophenoxy)isobutyric acid ; p-(2,4-Chlorophenoxy)isobutyric acid . Clofibric acid (CAS NO.882-09-7) is pale yellow solid.