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| CAS No.: | 73909-16-7 |
|---|---|
| Name: | 4-chloro-3-methoxytoluene |
| Article Data: | 33 |
| Molecular Structure: | |
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| Formula: | C8H9ClO |
| Molecular Weight: | 156.612 |
| Synonyms: | Anisole,2-chloro-5-methyl- (7CI);1-Chloro-4-methyl-2-methoxybenzene;2-Chloro-5-methylanisole;3-Methoxy-4-chlorotoluene;4-Chloro-3-methoxytoluene;NSC 220096; |
| Density: | 1.105 g/cm3 |
| Boiling Point: | 211.8 °C at 760 mmHg |
| Flash Point: | 87.7 °C |
| PSA: | 9.23000 |
| LogP: | 2.65700 |
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- Total:22 Page 1 of 1 1
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Specification
The Benzene, 1-chloro-2-methoxy-4-methyl-, with the CAS registry number 73909-16-7, is also known as 4-Chloro-3-methoxytoluene. This chemical's molecular formula is C8H9ClO and molecular weight is 156.6095. What's more, its IUPAC name is 1-Chloro-2-methoxy-4-methylbenzene.
Physical properties about Benzene, 1-chloro-2-methoxy-4-methyl- are: (1)ACD/LogP: 3.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.14; (4)ACD/LogD (pH 7.4): 3.14; (5)ACD/BCF (pH 5.5): 143.05; (6)ACD/BCF (pH 7.4): 143.05; (7)ACD/KOC (pH 5.5): 1214.8; (8)ACD/KOC (pH 7.4): 1214.8; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.514; (14)Molar Refractivity: 42.65 cm3; (15)Molar Volume: 141.6 cm3; (16)Polarizability: 16.9×10-24 cm3; (17)Surface Tension: 32.2 dyne/cm; (18)Density: 1.105 g/cm3; (19)Flash Point: 87.7 °C; (20)Enthalpy of Vaporization: 42.98 kJ/mol; (21)Boiling Point: 211.8 °C at 760 mmHg; (22)Vapour Pressure: 0.261 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccc(cc1OC)C
(2) InChI: InChI=1/C8H9ClO/c1-6-3-4-7(9)8(5-6)10-2/h3-5H,1-2H3
(3) InChIKey: KBRLTYHUJDMMLI-UHFFFAOYAR
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#01337, |