1,2-Diamino-3-methyl-4-fluorobenzene supplier

Name
2,3-DIAMINO-6-FLUOROTOLUENE
EINECS
CAS No. 485832-95-9
Article Data1
CAS DataBase
Density 1.224 g/cm³
Solubility
Melting Point
Formula C₇H₉FN₂
Boiling Point 272.087 °C at 760 mmHg
Molecular Weight 140.16
Flash Point 120.996 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 1,2-Diamino-3-methyl-4-fluorobenzene;
PSA 52.04000
LogP 2.46090

1,2-Diamino-3-methyl-4-fluorobenzene Specification

This chemical is called 1,2-Diamino-3-methyl-4-fluorobenzene, and its systematic name is 4-fluoro-3-methylbenzene-1,2-diamine. With the molecular formula of C₇H₉FN₂, its molecular weight is 140.16. The CAS registry number of this chemical is 485832-95-9. Additionally, its product category is Variousamine.

Other characteristics of the 1,2-Diamino-3-methyl-4-fluorobenzene can be summarised as followings: (1)ACD/LogP: 0.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 91; (8)ACD/KOC (pH 7.4): 97; (9)#H bond acceptors: 2; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 52.04 Å²; (13)Index of Refraction: 1.607; (14)Molar Refractivity: 39.544 cm³; (15)Molar Volume: 114.479 cm³; (16)Polarizability: 15.676×10^-24cm³; (17)Surface Tension: 49.538 dyne/cm; (18)Density: 1.224 g/cm³; (19)Flash Point: 120.996 °C; (20)Enthalpy of Vaporization: 51.036 kJ/mol; (21)Boiling Point: 272.087 °C at 760 mmHg; (22)Vapour Pressure: 0.006 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Cc1c(F)ccc(N)c1N
2.InChI: InChI=1/C7H9FN2/c1-4-5(8)2-3-6(9)7(4)10/h2-3H,9-10H2,1H3
3.InChIKey: PSGAKWLMABPVAC-UHFFFAOYAW

Product Name

2,3-DIAMINO-6-FLUOROTOLUENE

1,2-Diamino-3-methyl-4-fluorobenzene Specification

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