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| CAS No.: | 2138-22-9 |
|---|---|
| Name: | 4-Chlorobenzene-1,2-diol |
| Article Data: | 64 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H5ClO2 |
| Molecular Weight: | 144.558 |
| Synonyms: | Pyrocatechol,4-chloro- (6CI,7CI,8CI);4-Chloro-1,2-benzenediol;4-Chloro-1,2-dihydroxybenzene;4-Chlorocatechol;4-Chloropyrocatechol; |
| EINECS: | 218-381-9 |
| Density: | 1.471 g/cm3 |
| Melting Point: | 90-94 °C(lit.) |
| Boiling Point: | 267.082 °C at 760 mmHg |
| Flash Point: | 115.328 °C |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 1759 8/PG 2 |
| PSA: | 40.46000 |
| LogP: | 1.75120 |
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Chemistry
IUPAC Name: 4-Chlorobenzene-1,2-diol
Synonyms of 4-Chlorocatechol (CAS NO.2138-22-9): 1,2-Benzenediol,4-chloro- ; 4-Chloropyrocatechol ; Pyrocatechol,4-chloro-
CAS NO: 2138-22-9
Molecular Formula: C6H5ClO2
Molecular Weight: 144.56
Molecular Structure: 
EINECS: 218-381-9
H bond acceptors: 2
H bond donors: 2
Freely Rotating Bonds: 2
Polar Surface Area: 18.46 Å2
Index of Refraction: 1.629
Molar Refractivity: 34.91 cm3
Molar Volume: 98.2 cm3
Surface Tension: 59.7 dyne/cm
Density: 1.471 g/cm3
Flash Point: 115.3 °C
Enthalpy of Vaporization: 52.54 kJ/mol
Boiling Point: 267.1 °C at 760 mmHg
Vapour Pressure: 0.00505 mmHg at 25°C
Melting Point: 90-94 °C(lit.)
SMILES: Clc1cc(O)c(O)cc1
InChI: InChI=1/C6H5ClO2/c7-4-1-2-5(8)6(9)3-4/h1-3,8-9H
InChIKey: WWOBYPKUYODHDG-UHFFFAOYAM
Std. InChI: InChI=1S/C6H5ClO2/c7-4-1-2-5(8)6(9)3-4/h1-3,8-9H
Std. InChIKey: WWOBYPKUYODHDG-UHFFFAOYSA-N
Product Categories of 4-Chlorocatechol (CAS NO.2138-22-9): Phenol&Thiophenol&Mercaptan;Heterocyclic Compounds;Benzenes;Organic Building Blocks;Oxygen Compounds;Polyols
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 75mg/kg (75mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX07880, |
Safety Profile
Hazard Codes: 
C
Risk Statements: 34
R34: 4-Chlorocatechol (CAS NO.2138-22-9) can causes burns.
Safety Statements: 26-36/37/39-45
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN1759 8/PG 2
WGK Germany: 3
RTECS: UX1490000