Molecular Structure of Tetrachlorohydroquinone (CAS NO.87-87-6):
EINECS: 201-779-1
IUPAC Name: 2,3,5,6-Tetrachlorobenzene-1,4-diol
Molecular Formula: C6H2Cl4O2
Molecular Weight: 247.890880 g/mol
XLogP3: 4.1
H-Bond Donor: 2
H-Bond Acceptor: 2
Canonical SMILES: C1(=C(C(=C(C(=C1Cl)Cl)O)Cl)Cl)O
InChI: InChI=1S/C6H2Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11/h11-12H
InChIKey: STOSPPMGXZPHKP-UHFFFAOYSA-N
Index of Refraction: 1.661
Molar Refractivity: 49.59 cm3
Molar Volume: 134 cm3
Surface Tension: 65 dyne/cm
Density: 1.848 g/cm3
Flash Point: 126.9 °C
Enthalpy of Vaporization: 54.63 kJ/mol
Boiling Point: 286.2 °C at 760 mmHg
Vapour Pressure: 0.00156 mmHg at 25 °C
Melting Point: 238-240 °C
Water Solubility: 76.23 mg/L at 25 °C
BRN: 1876374
1. | dnd-omi 100 µmol/L | MUREAV Mutation Research. 145 (1985),71. | ||
2. | dnd-mam:lym 50 mmol/L | MUREAV Mutation Research. 145 (1985),71. | ||
3. | orl-mus LD50:368 mg/kg | TECSDY Toxicological and Environmental Chemistry. 11 (1986),37. | ||
4. | ipr-mus LD50:25 mg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD277-689 . |
Reported in EPA TSCA Inventory.
Safety Information of Tetrachlorohydroquinone (CAS NO.87-87-6):
Hazard Codes: Xn
Risk Statements: 22-41
R22:Harmful if swallowed
R41:Risk of serious damage to the eyes
Safety Statements: 26-36/37/39-39
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
S39:Wear eye / face protection
RTECS: MX7700000
Poison by ingestion and intraperitoneal routes. Mutation data reported. When heated to decomposition it emits toxic fumes of Cl−.
Tetrachlorohydroquinone with CAS registry number of 87-87-6 is beige to orange crystals, known as 2,3,5,6-Tetrachloro-1,4-benzenediol ; 2,3,5,6-Tetrachlorohydroquinone ; 4-06-00-05775 (Beilstein Handbook Reference) ; AI3-15490 ; CCRIS 4143 ; Dihydro-p-chloranil ; NSC 100888 ; Nordrosophilin A ; Perchlorohydroquinone ; Tetrachloro p-hydroquinone ; Tetrachloro-p-benzohydroquinone ; Tetrachloro-p-hydroquinone ; Tetrachlorobenzoquinol ; USAF DO-62 ; 1,4-Benzenediol, 2,3,5,6-tetrachloro- ; Hydroquinone, tetrachloro- . When heated to decomposition, it emits irritating and toxic fumes and gases.
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