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Benzenamine,2-bromo-4-(1-methylethyl)-

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Name

Benzenamine,2-bromo-4-(1-methylethyl)-

EINECS N/A
CAS No. 51605-97-1 Density 1.355 g/cm3
PSA 26.02000 LogP 3.73590
Solubility Miscible with dioxane and ethoxyethanol. Immiscible with water. Melting Point N/A
Formula C9H12BrN Boiling Point 271.8 °C at 760 mmHg
Molecular Weight 214.105 Flash Point 118.2 °C
Transport Information UN2810 Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 51605-97-1 (2-BROMO-4-ISOPROPYLANILINE) Hazard Symbols IrritantXi
Synonyms

Cumidine,2-bromo- (6CI);2-Bromo-4-(1-methylethyl)benzenamine;2-Bromo-4-isopropylaniline;2-Bromo-4-isopropylphenylamine;

Article Data 10

Benzenamine,2-bromo-4-(1-methylethyl)- Specification

The CAS register number of Benzenamine,2-bromo-4-(1-methylethyl)- is 51605-97-1. It also can be called as 2-Bromo-4-isopropylaniline and the systematic name about this chemical is 2-bromo-4-(propan-2-yl)aniline. The molecular formula about this chemical is C9H12BrN and the molecular weight is 214.1. It belongs to the following product categories which include Anilines, Amides & Amines; Bromine Compounds and so on.

Physical properties about Benzenamine,2-bromo-4-(1-methylethyl)- are: (1)ACD/LogP: 3.53; (2)ACD/LogD (pH 5.5): 3.53; (3)ACD/LogD (pH 7.4): 3.53; (4)ACD/BCF (pH 5.5): 284.23; (5)ACD/BCF (pH 7.4): 285; (6)ACD/KOC (pH 5.5): 1984.26; (7)ACD/KOC (pH 7.4): 1989.64; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 3.24 Å2; (12)Index of Refraction: 1.577; (13)Molar Refractivity: 52.36 cm3; (14)Molar Volume: 157.9 cm3; (15)Polarizability: 20.75x10-24cm3; (16)Surface Tension: 40.5 dyne/cm; (17)Density: 1.355 g/cm3; (18)Flash Point: 118.2 °C; (19)Enthalpy of Vaporization: 51.01 kJ/mol; (20)Boiling Point: 271.8 °C at 760 mmHg; (21)Vapour Pressure: 0.00631 mmHg at 25 °C.

Uses of Benzenamine,2-bromo-4-(1-methylethyl)-: it can be used to produce N4-(2-bromo-4-isopropyl-phenyl)-6-chloro-2-methyl-pyrimidine-4,5-diamine with 4,6-dichloro-2-methyl-pyrimidin-5-ylamine. This reaction will need solvent of 2-ethoxy-ethanol. The reaction time is 30 hours with reaction temperature of 135 °C. The yield is about 56%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. If you want to use it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. It may cause inflammation to the skin or other mucous membranes. If you want to use this chemical, keep the container sealed in dry and cool places. Please ensure that the workshop is well ventilated or equipped with exhaust device.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(ccc1N)C(C)C
(2)InChI: InChI=1/C9H12BrN/c1-6(2)7-3-4-9(11)8(10)5-7/h3-6H,11H2,1-2H3
(3)InChIKey: WEMDUNBELVTSRP-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C9H12BrN/c1-6(2)7-3-4-9(11)8(10)5-7/h3-6H,11H2,1-2H3
(5)Std. InChIKey: WEMDUNBELVTSRP-UHFFFAOYSA-N

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