CAS No.51605-97-1,2-BROMO-4-ISOPROPYLANILINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	51605-97-1
Name:	2-BROMO-4-ISOPROPYLANILINE
Article Data:	10

Formula:	C₉H₁₂BrN
Molecular Weight:	214.105
Synonyms:	Cumidine,2-bromo- (6CI);2-Bromo-4-(1-methylethyl)benzenamine;2-Bromo-4-isopropylaniline;2-Bromo-4-isopropylphenylamine;
Density:	1.355 g/cm³
Boiling Point:	271.8 °C at 760 mmHg
Flash Point:	118.2 °C
Solubility:	Miscible with dioxane and ethoxyethanol. Immiscible with water.
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
Transport Information:	UN2810
PSA:	26.02000
LogP:	3.73590

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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