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| CAS No.: | 2902-98-9 |
|---|---|
| Name: | 2-CHLORO-2,2-DIPHENYLACETYL CHLORIDE |
| Molecular Structure: | |
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| Formula: | C14H10Cl2O |
| Molecular Weight: | 265.139 |
| Synonyms: | Acetylchloride, chlorodiphenyl- (6CI,7CI,8CI);2-Chloro-2,2-diphenylacetyl chloride;Chlorodiphenylacetyl chloride;Diphenylchloroacetylchloride;NSC 400463;a,a-Diphenyl-a-chloroacetyl chloride;a-Chloro-a,a-diphenylacetyl chloride;a-Chlorodiphenylacetyl chloride; |
| EINECS: | 220-798-6 |
| Density: | 1.286 g/cm3 |
| Melting Point: | 48-50 °C(lit.) |
| Boiling Point: | 311.5 °C at 760 mmHg |
| Flash Point: | 140.8 °C |
| Appearance: | white to light yellow crystalline solid |
| Hazard Symbols: |
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| Risk Codes: | 34-36/37 |
| Safety: | 26-27-28-36/37/39-45 |
| Transport Information: | UN 3261 8/PG 2 |
| PSA: | 17.07000 |
| LogP: | 3.93440 |
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Specification
The 2-Chloro-2,2-diphenylacetyl chloride with its cas register number is 2902-98-9. It also can be called as alpha-Chloro-alpha,alpha-diphenylacetyl chloride and the IUPAC Name about this chemical is 2-chloro-2,2-diphenylacetyl chloride. It belongs to the following product categories, such as Acid Halides, Carbonyl Compounds, Organic Building Blocks and so on.
Physical properties about 2-Chloro-2,2-diphenylacetyl chloride are: (1)ACD/LogP: 4.27 ; (2)ACD/LogD (pH 5.5): 4.27; (3)ACD/LogD (pH 7.4): 4.27; (4)ACD/BCF (pH 5.5): 1029.05; (5)ACD/BCF (pH 7.4): 1029.05; (6)ACD/KOC (pH 5.5): 4987.71; (7)ACD/KOC (pH 7.4): 4987.71; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 17.07Å2; (11)Index of Refraction: 1.589; (12)Molar Refractivity: 69.5 cm3; (13)Molar Volume: 206 cm3; (14)Polarizability: 27.55x10-24cm3; (15)Surface Tension: 44.3 dyne/cm; (16)Enthalpy of Vaporization: 55.24 kJ/mol; (17)Vapour Pressure: 0.000562 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical can causes burns and it is irritating to eyes, respiratory system. When you are using it, wear suitable protective clothing, gloves and eye/face, you'd better take off immediately all contaminated clothing protection, after contact with skin, wash immediately with plenty of soap-suds. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)Cl)Cl
(2)InChI: InChI=1S/C14H10Cl2O/c15-13(17)14(16,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
(3)InChIKey: NFHKZAUDRWRXMZ-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 180mg/kg (180mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01995, |