CAS No.59772-49-5,Benzenamine, 2-bromo-6-chloro- Suppliers

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Basic Information

Molecular Structure:
CAS No.:	59772-49-5
Name:	Benzenamine, 2-bromo-6-chloro-
Article Data:	8

Formula:	C₆H₅BrClN
Molecular Weight:	206.469
Synonyms:	2-Bromo-6-chloroaniline;2-Bromo-6-chlorobenzenamine;
Density:	1.722 g/cm³
Melting Point:	57-58 °C(Solv: water (7732-18-5); ethanol (64-17-5))
Boiling Point:	242.8 °C at 760 mmHg
Flash Point:	100.6 °C
PSA:	26.02000
LogP:	3.26590

Synthetic route

: 93224-85-2
2-bromo-6-chlorobenzoic acid

: 59772-49-5
2-Chloro-6-bromoaniline

Conditions

Conditions	Yield
Stage #1: 2-bromo-6-chlorobenzoic acid With sulfuric acid at 60℃; for 1.5h; Stage #2: With sodium azide at 20℃; for 42h; Schmidt rearrangement; Stage #3: With ammonium hydroxide at 0℃;	92%

: 4-amino-3-bromo-5-chlorobenzenesulfonamide

: 59772-49-5
2-Chloro-6-bromoaniline

Conditions

Conditions	Yield
With sulfuric acid at 150℃; for 2h; Temperature;	85%

: 90493-87-1
2'-Chloro-6'-bromobenzanilide

: 59772-49-5
2-Chloro-6-bromoaniline

Conditions

Conditions	Yield
With sulfuric acid for 3h; Heating;	66%

: 615-36-1
2-bromoaniline

A: 59772-49-5
2-Chloro-6-bromoaniline

B: 873-38-1
4-chloro-2-bromoaniline

Conditions

Conditions	Yield
With N-chloro-succinimide; 1-(3,5-bis(trifluoromethyl)phenyl)-3-((1S,2S)-2-(mesitylselanyl)-2,3-dihydro-1H-inden-1-yl)thiourea In chloroform-d1 at 0℃; for 18h; regioselective reaction;	A 40% B n/a

: 95-51-2
2-Chloroaniline

A: 59772-49-5
2-Chloro-6-bromoaniline

B: 38762-41-3
2-chloro-4-bromoaniline

Conditions

Conditions	Yield
With dihydrogen peroxide; ammonium bromide; acetic acid at 20℃; for 2.5h;
Stage #1: o-chloroaniline With dihydrogen peroxide; acetic acid; potassium bromide In water at 20℃; for 3h; Stage #2: With sodium hydrogencarbonate In diethyl ether; water regioselective reaction;

: 35758-75-9
N-(2-bromophenyl)hydroxylamine

: 59772-49-5
2-Chloro-6-bromoaniline

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: NaHCO3 / diethyl ether; H2O / 1 h / T < 5 deg C; or in benzene 2: 71 percent / SOCl2 / diethyl ether / 1 h / T < 5 deg C 3: 66 percent / 70percent H2SO4 / 3 h / Heating View Scheme

: 90493-81-5
N-(2-Bromo-phenyl)-N-hydroxy-benzamide

: 59772-49-5
2-Chloro-6-bromoaniline

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 71 percent / SOCl2 / diethyl ether / 1 h / T < 5 deg C 2: 66 percent / 70percent H2SO4 / 3 h / Heating View Scheme

: 95-51-2
2-Chloroaniline

A: 59772-49-5
2-Chloro-6-bromoaniline

B: 874-18-0
2-chloro-4,6-dibromoaniline

C: 38762-41-3
2-chloro-4-bromoaniline

Conditions

Conditions	Yield
With bromine at 20 - 25℃; for 0.0333333h; pH=8.5 - 9; aq. buffer;

...Expand

: 63-74-1
sulfanilamide

: 59772-49-5
2-Chloro-6-bromoaniline

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: N-chloro-succinimide / tetrahydrofuran / 25 h / 40 °C 2: N-Bromosuccinimide / acetonitrile / 3 h / 20 °C 3: sulfuric acid / 2 h / 150 °C View Scheme

: 59772-49-5
2-Chloro-6-bromoaniline

: 59772-48-4
1-bromo-3-chloro-2-nitrobenzene

Conditions

Conditions	Yield
With 3-chloro-benzenecarboperoxoic acid In 1,2-dichloro-ethane at 70℃; for 2h;	94%
With trifluoroacetyl peroxide In dichloromethane at -5 - 5℃; for 2h;	75%

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Specification

The Benzenamine, 2-bromo-6-chloro-, with the CAS registry number of 59772-49-5, is also known as 2-Bromo-6-chlorobenzenamine. This chemical's molecular formula is C₆H₅BrClN and molecular weight is 206.4676. What's more, its systematic name is called 2-Bromo-6-chloroaniline.

Physical properties about Benzenamine, 2-bromo-6-chloro- are: (1)ACD/LogP: 3.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.12; (4)ACD/LogD (pH 7.4): 3.12; (5)ACD/BCF (pH 5.5): 137.73; (6)ACD/BCF (pH 7.4): 137.73; (7)ACD/KOC (pH 5.5): 1182.27; (8)ACD/KOC (pH 7.4): 1182.29; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.02 Å²; (13)Index of Refraction: 1.638; (14)Molar Refractivity: 43.07 cm³; (15)Molar Volume: 119.8 cm³; (16)Surface Tension: 50.4 dyne/cm; (17)Density: 1.722 g/cm³; (18)Flash Point: 100.6 °C; (19)Enthalpy of Vaporization: 47.98 kJ/mol; (20)Boiling Point: 242.8 °C at 760 mmHg; (21)Vapour Pressure: 0.0333 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cccc(Br)c1N
(2) InChI: InChI=1/C6H5BrClN/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2
(3) InChIKey: BIMSFWCFKDVSNO-UHFFFAOYAX