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3-BROMO-4-METHOXYANILINE

3-BROMO-4-METHOXYANILINE structure

CAS No:
19056-41-8
Formula:
C7H8BrNO
Chemical Name:
3-BROMO-4-METHOXYANILINE
Synonyms:
3-Bromo-4-methoxyaniline;4-Amino-2-bromoanisole;Benzenamine, 3-bromo-4-methoxy-;3-Bromo-4-methoxy aniline;3-bromo-4-methoxyphenylamine;MFCD04094339;3-BROMO-4-METHOXY-PHENYLAMINE;PubChem16856;ACMC-209etw;3-bromo-4methoxyaniline
Categories:
Organic Chemistry > Coordination Complexes

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3-BROMO-4-METHOXYANILINE Basic Attributes

Molecular Weight：

202.05

Exact Mass：

200.978912

DSSTox ID：

DTXSID30359376

HScode：

2922299090

Characteristics

PSA：

35.2

XLogP3：

1.9

Density：

1.531±0.06 g/cm3(Predicted)

Melting Point：

62 °C

Boiling Point：

282.2±20.0 °C(Predicted)

Flash Point：

124.5±21.8 °C

Refractive Index：

1.596

Storage Conditions：

Room temperature.

Vapor Pressure：

0.0034mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

IRRITANT

Transport codes：

2811

hazard class code：

26/27/28-33-50

safety instructions：

28-36/37-45-61

Marks：

Xi,N,T+

Precautionary statement(s)：

P260, P262, P264, P270, P271, P273, P280, P284, P301+P310, P302+P350, P304+P340, P310, P314, P320, P321, P322, P330, P361, P363, P391, P403+P233, P405, P501

Hazard Statements：

H300+H310+H330

GHS Classification：

|Danger|H300+H310+H330 (92.68%): Fatal if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P260, P262, P264, P270, P271, P273, P280, P284, P301+P310, P302+P350, P304+P340, P310, P314, P320, P321, P322, P330, P361, P363, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 41 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

3-BROMO-4-METHOXYANILINE Use and Manufacturing

Preparation of 52A suspension 51 (O. lg, 0.43mmol) in unstabilized 57 percent HI (1.3 mL) was heated at 90°C for 5h. Reaction mixture was cooled, diluted with EtOAc (5 mL) and washed with saturated aq Na2S20s and brine. The organic layer was dried over anhydrous MgS0[0584] Preparation of 52 [0585] A suspension 51 (0.1 g, 0.43 mmol) in unstabilized 57percent Hl (1.3 mL) was heated at 90° C. for 5 h. Reaction mixture was cooled, diluted with EtOAc (5 mL) and washed with saturated aq NaStannous chloride (96.839 g, 5.0 eq.) was added to a solution of 2-bromo-4-nitroanisole (23.7 g, 1.0 eq.) in ethanol (250 mL) and the mixture was stirred at 70° C. for 2 h, partitioned between ethyl acetate and sodium bicarbonate solution 10percent. 2-Bromo-1-methoxy-4-nitrobenzene (2.50 g, 10.8 mmol), SnCl2.2H2O (12.2 g, 53.9 mmol), and MeOH (30 mL) were combined and allowed to stir for 3 h at ambient temperature. To a solution of N-(3-bromo-4-methoxyphenyl)acetamide III (5.0 g, 20.50 mmol) in EtOH (40.0 mL) was added concentrated HCI (20.0 ml.) and heated the reaction mixture to 8O

Computed Properties

Molecular Weight:202.05
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:200.97893
Monoisotopic Mass:200.97893
Topological Polar Surface Area:35.2
Heavy Atom Count:10
Complexity:110
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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