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CAS No.: | 19853-79-3 |
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Name: | 2,4-dichloro-m-toluidine |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C7H7Cl2N |
Molecular Weight: | 176.045 |
Synonyms: | m-Toluidine,2,4-dichloro- (8CI);2,4-Dichloro-3-methylaniline;2,6-Dichloro-3-aminotoluene; |
EINECS: | 243-371-6 |
Density: | 1.334 g/cm3 |
Boiling Point: | 258.9 °C at 760 mmHg |
Flash Point: | 110.4 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36 |
Safety: | 26 |
PSA: | 26.02000 |
LogP: | 4.26720 |
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The Benzenamine,2,4-dichloro-3-methyl-, with the CAS registry number 19853-79-3, is also known as 2,4-Dichloro-m-toluidine. Its EINECS registry number is 243-371-6. This chemical's molecular formula is C7H7Cl2N and molecular weight is 176.04318. What's more, its systematic name is called 2,4-Dichloro-3-methylaniline.
Physical properties about Benzenamine,2,4-dichloro-3-methyl- are: (1) ACD/LogP: 3.20; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3.2; (4) ACD/LogD (pH 7.4): 3.2; (5) ACD/BCF (pH 5.5): 159.53; (6) ACD/BCF (pH 7.4): 159.59; (7) ACD/KOC (pH 5.5): 1313.23; (8) ACD/KOC (pH 7.4): 1313.79; (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: 1.599; (14) Molar Refractivity: 45.1 cm3; (15) Molar Volume: 131.8 cm3; (16) Surface Tension: 45.4 dyne/cm; (17) Density: 1.334 g/cm3; (18) Flash Point: 110.4 °C; (19) Enthalpy of Vaporization: 49.66 kJ/mol; (20) Boiling Point: 258.9 °C at 760 mmHg; (21) Vapour Pressure: 0.0133 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1c(c(Cl)c(N)cc1)C
(2) InChI: InChI=1/C7H7Cl2N/c1-4-5(8)2-3-6(10)7(4)9/h2-3H,10H2,1H3
(3) InChIKey: FOYMVHMUBKHXLY-UHFFFAOYAU