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10546-65-3

Basic Information
CAS No.: 10546-65-3
Name: 2,6-DIBROMO-4-ISOPROPYLANILINE
Article Data: 2
Molecular Structure:
Molecular Structure of 10546-65-3 (2,6-DIBROMO-4-ISOPROPYLANILINE)
Formula: C9H11Br2N
Molecular Weight: 293.001
Synonyms: Cumidine,2,6-dibromo- (7CI,8CI);2,6-Dibromo-4-(1-methylethyl)aniline;2,6-Dibromo-4-isopropylaniline;
EINECS: -0
Density: 1.682 g/cm3
Melting Point: 44 °C
Boiling Point: 310.6 °C at 760 mmHg
Flash Point: 141.6 °C
Appearance: crystal
Hazard Symbols: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.;
Risk Codes: 36/37/38
Safety: 26-36
PSA: 26.02000
LogP: 4.49840
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Specification

This chemical is called Benzenamine,2,6-dibromo-4-(1-methylethyl)-, and its systematic name is 2,6-Dibromo-4-(propan-2-yl)aniline. With the molecular formula of C9H11Br2N, its molecular weight is 293.00. The CAS registry number of the chemical is 10546-65-3. In addition, this chemical should be sealed in the cool and dry place.

Other characteristics of Benzenamine,2,6-dibromo-4-(1-methylethyl)- can be summarised as followings: (1)ACD/LogP: 4.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.74; (4)ACD/LogD (pH 7.4): 4.74; (5)ACD/BCF (pH 5.5): 2372.43; (6)ACD/BCF (pH 7.4): 2372.49; (7)ACD/KOC (pH 5.5): 9068.95; (8)ACD/KOC (pH 7.4): 9069.16; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 60.05 cm3; (15)Molar Volume: 174.1 cm3; (16)Polarizability: 23.8×10-24cm3; (17)Surface Tension: 44.2 dyne/cm; (18)Density: 1.682 g/cm3; (19)Flash Point: 141.6 °C; (20)Enthalpy of Vaporization: 55.14 kJ/mol; (21)Boiling Point: 310.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000595 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. Wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.  

You can still convert the following datas into molecular structure: 
1.SMILES: Brc1cc(cc(Br)c1N)C(C)C
2.InChI: InChI=1/C9H11Br2N/c1-5(2)6-3-7(10)9(12)8(11)4-6/h3-5H,12H2,1-2H3
3.InChIKey: CJEBZUFROMNDEK-UHFFFAOYAM
4.Std. InChI: InChI=1S/C9H11Br2N/c1-5(2)6-3-7(10)9(12)8(11)4-6/h3-5H,12H2,1-2H3
5.Std. InChIKey: CJEBZUFROMNDEK-UHFFFAOYSA-N