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CAS No.: | 527-20-8 |
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Name: | Pentachloroaniline |
Article Data: | 31 |
Molecular Structure: | |
Formula: | C6H2Cl5N |
Molecular Weight: | 265.354 |
Synonyms: | Aniline,2,3,4,5,6-pentachloro- (6CI,7CI,8CI);Aniline, pentachloro- (5CI);2,3,4,5,6-Pentachloroaniline;2,3,4,5,6-Pentachlorobenzenamine;NSC 49579;Pentachloroaminobenzene; |
EINECS: | 208-410-3 |
Density: | 1.751 g/cm3 |
Melting Point: | 232 °C |
Boiling Point: | 335.8 °C at 760 mmHg |
Flash Point: | 156.9 °C |
Appearance: | Needles from alcohol. |
Hazard Symbols: | T |
Risk Codes: | 20/21/22-36/37/38-23/24/25-33 |
Safety: | 26-36/37/39-45-22 |
PSA: | 26.02000 |
LogP: | 5.11700 |
The Benzenamine,2,3,4,5,6-pentachloro-, with CAS registry number 527-20-8, belongs to the following product categories: (1)API intermediates; (2)Alpha sort; (3)Aromatics Pesticides & Metabolites; (4)N-PAlphabetic; (5)Aromatics Environmental Standards; (6)Amines; (7)Chemical Class; (8)Metabolites Alphabetic; (9)P; (10)PA - PEN; (11)Pesticides & Metabolites. It has the systematic name of pentachloroaniline. This chemical should be stored at the temperature of 0-6°C.
Physical properties of Benzenamine,2,3,4,5,6-pentachloro-: (1)ACD/LogP: 4.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.86; (4)ACD/LogD (pH 7.4): 4.86; (5)ACD/BCF (pH 5.5): 2915.72; (6)ACD/BCF (pH 7.4): 2915.72; (7)ACD/KOC (pH 5.5): 10511.39; (8)ACD/KOC (pH 7.4): 10511.39; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.645; (14)Molar Refractivity: 54.96 cm3; (15)Molar Volume: 151.4 cm3; (16)Polarizability: 21.78×10-24cm3; (17)Surface Tension: 54.9 dyne/cm; (18)Density: 1.751 g/cm3; (19)Flash Point: 156.9 °C; (20)Enthalpy of Vaporization: 57.89 kJ/mol; (21)Boiling Point: 335.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000117 mmHg at 25°C.
Preparation: this chemical can be prepared by pentachloro-nitro-benzene. This reaction will need reagents alcohol, tin, hydrochloric acid.
Uses of Benzenamine,2,3,4,5,6-pentachloro-: it can be used to produce heptachloro-aniline. This reaction will need reagents diethyl ether, hypochlorous acid. The reaction temperature is -20 ℃.
When you are using this chemical, please be cautious about it as the following:
The Benzenamine,2,3,4,5,6-pentachloro- irritates to eyes, respiratory system and skin. This chemical is harmful by inhalation, in contact with skin and if swallowed. And it is toxic by inhalation, in contact with skin and if swallowed. It aslo has danger of cumulative effects. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(c(Cl)c(Cl)c(Cl)c1Cl)N
(2)InChI: InChI=1/C6H2Cl5N/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H2
(3)InChIKey: KHCZSJXTDDHLGJ-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C6H2Cl5N/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H2
(5)Std. InChIKey: KHCZSJXTDDHLGJ-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LD50 | unreported | 15gm/kg (15000mg/kg) | Journal of Agricultural and Food Chemistry. Vol. 15, Pg. 654, 1967. |