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4-Bromo-2-chloro-6-methylaniline

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Name

4-Bromo-2-chloro-6-methylaniline

EINECS 627-699-0
CAS No. 30273-42-8 Density 1.619g/cm3
PSA 26.02000 LogP 3.57430
Solubility N/A Melting Point 38-42 ºC
Formula C7H7BrClN Boiling Point 261.8°Cat760mmHg
Molecular Weight 220.496 Flash Point 110 ºC
Transport Information N/A Appearance N/A
Safety
Hazard Codes Xn
Risk Statements 36/37/38-42/43
Safety Statements 26-36/37-45
RIDADR UN2811
WGK Germany 3
HazardClass 6.1
PackingGroup III
Risk Codes R36/37/38;R42/43   
Molecular Structure Molecular Structure of 30273-42-8 (4-Bromo-2-chloro-6-methylaniline) Hazard Symbols
Synonyms

o-Toluidine,4-bromo-6-chloro- (8CI);2-Amino-5-bromo-3-chlorotoluene;4-Bromo-2-chloro-6-methylaniline;4-Bromo-2-chloro-6-methylphenylamine;

 

4-Bromo-2-chloro-6-methylaniline Specification

The 4-Bromo-2-chloro-6-methylaniline with cas registry number of 30273-42-8, whose systematic name is 4-bromo-2-chloro-6-methylaniline. And it is also named Benzenamine, 4-bromo-2-chloro-6-methyl-; 4-BROMO-2-CHLORO-6-METHYLANILINE, PURISS, 98%.

Physical properties about this chemical are: (1)ACD/LogP: 3.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.43; (4)ACD/LogD (pH 7.4): 3.43; (5)ACD/BCF (pH 5.5): 239.47; (6)ACD/BCF (pH 7.4): 239.51; (7)ACD/KOC (pH 5.5): 1756.49; (8)ACD/KOC (pH 7.4): 1756.84; (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: 1.621; (14)Molar Refractivity: 47.89 cm3; (15)Molar Volume: 136.1 cm3; (16)Polarizability: 18.98×10-24cm3; (17)Surface Tension: 47.3 dyne/cm; (18)Enthalpy of Vaporization: 49.95 kJ/mol; (19)Vapour Pressure: 0.0113 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Trimesic acid irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
Besides this, it may cause sensitization by inhalation and skin contact. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) 

You can still convert the following datas into molecular structure: 
(1)SMILES:Clc1c(N)c(cc(Br)c1)C;
(2)InChI:InChI=1/C7H7BrClN/c1-4-2-5(8)3-6(9)7(4)10/h2-3H,10H2,1H3;
(3)InChIKey:DIXGIKZIIZRFKE-UHFFFAOYAB;
(4)Std. InChI:InChI=1S/C7H7BrClN/c1-4-2-5(8)3-6(9)7(4)10/h2-3H,10H2,1H3;
(5)Std. InChIKey:DIXGIKZIIZRFKE-UHFFFAOYSA-N.

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