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Cas Database |
| Name |
4,4'-Dichlorobenzhydrol |
EINECS | 202-029-6 |
| CAS No. | 90-97-1 | Density | 1.325 g/cm3 |
| PSA | 20.23000 | LogP | 4.07510 |
| Solubility | Insoluble in water. | Melting Point |
91-95 °C |
| Formula | C13H10Cl2O | Boiling Point | 386.1 °C at 760 mmHg |
| Molecular Weight | 253.128 | Flash Point | 145.5 °C |
| Transport Information | N/A | Appearance | cream to light brown granular powder |
| Safety | 37/39-26-36 | Risk Codes | 36/37/38-22 |
| Molecular Structure |
|
Hazard Symbols |
 Xn, Xi
|
| Synonyms |
Benzhydrol,4,4'-dichloro- (6CI,7CI,8CI);Benzenemethanol,4-chloro-a-(4-chlorophenyl)-;4,4'-Dichlorobenzhydrylalcohol;4,4'-Dichlorodiphenylcarbinol;Bis(4-chlorophenyl)methanol;Bis(p-chlorophenyl)methanol;DBH (degradation product);NSC 121779;NSC5250;p,p'-Dichlorobenzhydrol; |
Article Data | 84 |
4,4'-Dichlorobenzhydrol Chemical Properties
Molecule structure of 4,4'-Dichlorobenzhydrol (CAS NO.90-97-1):
IUPAC Name: Bis(4-chlorophenyl)methanol
Molecular Weight: 253.1239 g/mol
Molecular Formula: C13H10Cl2O
Density: 1.325 g/cm3
Melting Point: 91-95 °C
Boiling Point: 386.1 °C at 760 mmHg
Flash Point: 145.5 °C
Index of Refraction: 1.617
Molar Refractivity: 66.89 cm3
Molar Volume: 190.9 cm3
Surface Tension: 49 dyne/cm
Enthalpy of Vaporization: 66.97 kJ/mol
Vapour Pressure: 1.19E-06 mmHg at 25 °C
XLogP3: 4.1
H-Bond Donor: 1
H-Bond Acceptor: 1
Rotatable Bond Count: 2
Exact Mass: 252.01087
MonoIsotopic Mass: 252.01087
Topological Polar Surface Area: 20.2
Heavy Atom Count: 16
Canonical SMILES: C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)O)Cl
InChI: InChI=1S/C13H10Cl2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,13,16H
InChIKey: PHUYGURFBULKPA-UHFFFAOYSA-N
EINECS: 202-029-6
Product Categories: Benzhydrols, Benzyl & Special Alcohols; Alcohols; C9 to C30; Oxygen Compounds
4,4'-Dichlorobenzhydrol Safety Profile
Hazard Codes: 
Xn, 
Xi
Risk Statements: 36/37/38-22
R36/37/38:Irritating to eyes, respiratory system and skin.
R22:Harmful if swallowed.
Safety Statements: 37/39-26-36
S37/39:Wear suitable gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
4,4'-Dichlorobenzhydrol Specification
4,4'-Dichlorobenzhydrol (CAS NO.90-97-1) is also named as AI3-05090 ; NSC 121779 ; p,p'-Dichlorobenzhydrol ; 4,4'-Dichloro-alpha-phenylbenzylic alcohol ; Benzenemethanol, 4-chloro-alpha-(4-chlorophenyl)- . 4,4'-Dichlorobenzhydrol (CAS NO.90-97-1) is cream to light brown granular powder.
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