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| CAS No.: | 4525-75-1 |
|---|---|
| Name: | 2-CHLOROPHENYL ACETATE |
| Article Data: | 32 |
| Molecular Structure: | |
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| Formula: | C8H7ClO2 |
| Molecular Weight: | 170.595 |
| Synonyms: | Aceticacid, o-chlorophenyl ester (7CI,8CI);Phenol, o-chloro-, acetate (6CI);2-Chlorophenyl acetate;NSC 404080;o-Acetoxychlorobenzene;o-Chlorophenylacetate; |
| Density: | 1.227 g/cm3 |
| Melting Point: | -20 °C |
| Boiling Point: | 232.2 °C at 760 mmHg |
| Flash Point: | 106.7 °C |
| Appearance: | colourless Liquid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 37/39-26 |
| PSA: | 26.30000 |
| LogP: | 2.26530 |
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- Total:27 Page 1 of 1 1
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Specification
The Acetic acid, 2-chlorophenyl ester, with the CAS registry number of 4525-75-1, is also known as o-Chlorophenylacetate. It belongs to the product categories of Aromatics Compounds; Aromatics. This chemical's molecular formula is C8H7ClO2 and molecular weight is 170.59. What's more, its IUPAC name is (2-Chlorophenyl) acetate. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should be avoided contact with light.
Physical properties about Acetic acid, 2-chlorophenyl ester are: (1)ACD/LogP: 2.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.18; (4)ACD/LogD (pH 7.4): 2.18; (5)ACD/BCF (pH 5.5): 26.72; (6)ACD/BCF (pH 7.4): 26.72; (7)ACD/KOC (pH 5.5): 365.53; (8)ACD/KOC (pH 7.4): 365.53; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 42.48 cm3; (15)Molar Volume: 139 cm3; (16)Surface Tension: 37.7 dyne/cm; (17)Density: 1.227 g/cm3; (18)Flash Point: 106.7 °C; (19)Enthalpy of Vaporization: 46.89 kJ/mol; (20)Boiling Point: 232.2 °C at 760 mmHg; (21)Vapour Pressure: 0.0598 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable gloves and eye/face protection. 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) SMILES: Clc1ccccc1OC(=O)C
(2) InChI: InChI=1/C8H7ClO2/c1-6(10)11-8-5-3-2-4-7(8)9/h2-5H,1H3
(3) InChIKey: CJPVPOYTTALCNX-UHFFFAOYAI
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LDLo | intraperitoneal | 500mg/kg (500mg/kg) | BEHAVIORAL: TREMOR | "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 8, Pg. 104, 1956. |