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| CAS No.: | 118-91-2 |
|---|---|
| Name: | o-Chlorobenzoic acid |
| Molecular Structure: | |
|
|
|
| Formula: | C7H5ClO2 |
| Molecular Weight: | 156.569 |
| Synonyms: | 2-CBA;o-Chlorobenzoic acid;Benzoic acid, 2-chloro-;Benzoic acid, o-chloro-;Kyselina o-chlorbenzoova;O-chloro-benzoic acid;2 - Chloro Benzoic Acid;O-Chloro benzoic acid;2-chloro benzoic acid;2 Chloro Benzoic Acid;Ortho chlorobenzoic acid;Ortho-chloro benzoic acid; |
| EINECS: | 204-285-4 |
| Density: | 1.544 g/cm3 |
| Melting Point: | 139-143 °C |
| Boiling Point: | 275.7 °C at 760 mmHg |
| Flash Point: | 120.5 °C |
| Solubility: | soluble in hot water |
| Appearance: | white crystals or powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36-36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 37.30000 |
| LogP: | 2.03820 |
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| Conditions | Yield |
|---|---|
| With sodium perborate In acetic acid for 1.5h; steam bath; | 100% |
| With sodium chlorite; dimethyl sulfoxide In water; acetonitrile at 10℃; for 1h; | 98% |
| With selenium(IV) oxide; dihydrogen peroxide In tetrahydrofuran for 9h; Heating; | 97% |
| Conditions | Yield |
|---|---|
| With sodium; diphenyldisulfane In 1-methyl-pyrrolidin-2-one at 90℃; for 0.25h; | 100% |
| With iodine; aluminium In acetonitrile at 80℃; for 18h; | 98% |
| With potassium hydroxide In toluene at 150℃; for 0.166667h; microwave irradiation; | 97% |
- 17849-38-6
2-Chlorobenzyl alcohol
- 118-91-2
ortho-chlorobenzoic acid
| Conditions | Yield |
|---|---|
| With NH-pyrazole; sodium hydride In tetrahydrofuran for 20h; Ambient temperature; | 100% |
| With Oxone; potassium bromide In water; acetonitrile at 20℃; for 24h; Reagent/catalyst; Solvent; | 99% |
| With sodium hydroxide; sodium periodate; trans-Na6 In water for 1.5h; | 96% |
- 5328-80-3
2-chlorobenzaldehyde N-[(2-chlorophenyl)methylidene]hydrazone
- 118-91-2
ortho-chlorobenzoic acid
| Conditions | Yield |
|---|---|
| With poly(diselanediyl-1,2-phenylene); dihydrogen peroxide In tetrahydrofuran for 140h; Heating; | 98% |
| With [bis(acetoxy)iodo]benzene In tetrahydrofuran at 20℃; for 4h; Green chemistry; | 76% |
- 107135-19-3
N’-(2-chlorobenzylidene)-4-methylbenzenesulfonohydrazide
- 118-91-2
ortho-chlorobenzoic acid
| Conditions | Yield |
|---|---|
| With poly(diselanediyl-1,2-phenylene); dihydrogen peroxide In tetrahydrofuran for 85h; Heating; | 98% |
- 23975-60-2
1-(2-chlorophenyl)-4,4,4-trifluorobutane-1,3-dione
- 118-91-2
ortho-chlorobenzoic acid
| Conditions | Yield |
|---|---|
| With oxygen; sodium hydrogencarbonate In acetonitrile for 4h; Molecular sieve; Irradiation; | 98% |
| Conditions | Yield |
|---|---|
| With potassium hydroxide In toluene at 150℃; for 0.166667h; microwave irradiation; | A 2% B 97% |
| With phosphate buffer at 30℃; for 6.5h; rhodococcus rhodocrous AJ270, pH 7.0; | A 94% B 4% |
| With potassium phosphate buffer at 30℃; for 6.5h; Rhodococcus sp. AJ270 cells; | A 94.1% B 4.4% |
| With potassium hydroxide; cetyltrimethylammonim bromide In toluene at 100℃; for 0.166667h; microwave irradiation; | A 45% B 5% |
- 95-49-8
2-methylchlorobenzene
A
- 89-98-5
2-chloro-benzaldehyde
B
- 611-17-6
1-bromomethyl-2-chlorobenzene
C
- 118-91-2
ortho-chlorobenzoic acid
| Conditions | Yield |
|---|---|
| With oxygen; cobalt(II) acetate; sodium bromide In acetic acid at 95℃; for 0.666667h; Kinetics; Mechanism; Rate constant; other time; other temperature; various concentrations of Co(OAc)2 and NaBr; | A n/a B n/a C 96% |
| With oxygen; cobalt(II) acetate; sodium bromide In acetic acid at 95℃; for 0.666667h; | A n/a B n/a C 95% |
- 1429790-14-6
methyl 3-(2-chlorophenyl)-3-oxopropanedithioate
- 118-91-2
ortho-chlorobenzoic acid
| Conditions | Yield |
|---|---|
| With sodium hydroxide In water at 100℃; for 8.5h; Reflux; chemoselective reaction; | 96% |
| Conditions | Yield |
|---|---|
| With benzene-1,2-dicarboxylic acid for 0.833333h; microwave-irradiation; | 94% |
| With phosphate buffer at 30℃; for 168h; rhodococcus rhodocrous AJ270, pH 7.0; | 80% |
| With potassium phosphate buffer at 30℃; for 168h; Rhodococcus sp. AJ270 cells; | 79.9% |
| With sulfuric acid |
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Chemistry
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IUPAC Name: 2-Chlorobenzoic acid
Empirical Formula: C7H5ClO2
Molecular Weight: 156.5664
Canonical SMILES: C1=CC=C(C(=C1)C(=O)O)Cl
InChI: InChI=1S/C7H5ClO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)
InChIKey: IKCLCGXPQILATA-UHFFFAOYSA-N
EINECS: 204-285-4
Product Categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Organics; Highly Purified Reagents; Other Categories; Zone Refined Products; C7; Carbonyl Compounds; Carboxylic Acids; Alpha sort; C; CAlphabetic; CH; Pesticides&Metabolites
Water Solubility: soluble in hot water
Stability: Stable, combustible. Incompatible with strong bases, strong oxidizing agents.
Index of Refraction: 1.583
Molar Refractivity: 38.07 cm3
Molar Volume: 113.9 cm3
Surface Tension: 51.5 dyne/cm
Density: 1.374 g/cm3
Flash Point: 120.5 °C
Enthalpy of Vaporization: 54.31 kJ/mol
Boiling Point: 275.7 °C at 760 mmHg
Vapour Pressure: 0.00242 mmHg at 25 °C
Appearance: white crystals or powder
Melting Point: 138-140 °C(lit.)
Classification Code of 2-Chlorobenzoic acid (CAS NO.118-91-2): Skin / Eye Irritant
Uses
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LD | oral | > 500mg/kg (500mg/kg) | National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 18, 1953. | |
| rat | LD50 | intraperitoneal | 2300mg/kg (2300mg/kg) | Bollettino Chimico Farmaceutico. Vol. 112, Pg. 53, 1973. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Moderately toxic by intraperitoneal route. Mildly toxic by ingestion. An eye and skin irritant. When heated to decomposition it emits toxic fumes of Cl−.
Hazard Codes: 
Xi
Risk Statements: 36-36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
R36:Irritating to eyes.
Safety Statements: 26-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 2
RTECS: DG4976000
Hazard Note: Irritant
Specification
2-Chlorobenzoic acid (CAS NO.118-91-2), its Synonyms are Benzoic acid, 2-chloro- ; Benzoic acid, o-chloro- ; Kyselina o-chlorbenzoova ; o-Chlorobenzoic acid .