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| CAS No.: | 17609-80-2 |
|---|---|
| Name: | 4-Amino-3-chlorophenol |
| Molecular Structure: | |
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| Formula: | C6H6 Cl N O |
| Molecular Weight: | 143.573 |
| Synonyms: | 1-Hydroxy-4-amino-3-chlorobenzene;2-Chloro-4-hydroxyaniline; 3-Chloro-4-aminophenol; 3-Chloro-p-aminophenol;4-Amino-3-chlorophenol |
| EINECS: | 241-583-3 |
| Density: | 1.406g/cm3 |
| Melting Point: | 159-160℃ |
| Boiling Point: | 287.3°Cat760mmHg |
| Flash Point: | 127.6°C |
| PSA: | 46.25000 |
| LogP: | 2.20900 |
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Chemistry
Molecular Structure of Phenol,4-amino-3-chloro- (CAS No. 17609-80-2):
IUPAC Name: 4-Amino-3-chlorophenol
Molecular Formula: C6H6ClNO
Molecular Weight: 143.57
CAS Registry Number: 17609-80-2
Index of Refraction: 1.65
Molar Refractivity: 37.26 cm3
Molar Volume: 102 cm3
Surface Tension: 59.8 dyne/cm
Density: 1.406 g/cm3
Flash Point: 127.6 °C
Enthalpy of Vaporization: 54.76 kJ/mol
Boiling Point: 287.3 °C at 760 mmHg
Vapour Pressure: 0.00145 mmHg at 25°C
EINECS: 241-583-3
BRN: 2802558
Structure Descriptors of Phenol,4-amino-3-chloro- (CAS No. 17609-80-2):
SMILES: Clc1cc(O)ccc1N
InChI: InChI=1/C6H6ClNO/c7-5-3-4(9)1-2-6(5)8/h1-3,9H,8H2
InChIKey: PNLPXABQLXSICH-UHFFFAOYAY
Std. InChI: InChI=1S/C6H6ClNO/c7-5-3-4(9)1-2-6(5)8/h1-3,9H,8H2
Std. InChIKey: PNLPXABQLXSICH-UHFFFAOYSA-N
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mammal (species unspecified) | LD50 | unreported | 6683mg/kg (6683mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 48(6), Pg. 22, 1983. |
Specification
Phenol,4-amino-3-chloro- with cas registry number of 17609-80-2 is also called 4-Amino-3-chlorophenol ; 3-13-00-01184 (Beilstein Handbook Reference) ; 3-Chloro-4-aminophenol .