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4-BROMO-2,5-DIFLUOROANILINE

4-BROMO-2,5-DIFLUOROANILINE structure

CAS No:
112279-60-4
Formula:
C6H4BrF2N
Chemical Name:
4-BROMO-2,5-DIFLUOROANILINE
Synonyms:
4-BROMO-2,5-DIFLUOROANILINE;4-Bromo-2,5-difluoroaniline 98%;4-Bromo-2,5-difluoroaniline98%;4-broMo-2,5-difluorobenzenaMine;4-Bromo-2,5-difluoro-phenylamine;2,5-Difluoro-4-bromoaniline
Categories:
Organic Chemistry > Organic Fluorine Compound

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4-BROMO-2,5-DIFLUOROANILINE Basic Attributes

Molecular Weight：

208

Exact Mass：

206.949509

BRN：

4741102

EC Number：

-0

DSSTox ID：

DTXSID00378337

HScode：

2921420090

Characteristics

PSA：

XLogP3：

2.1

Density：

1.8±0.1 g/cm3

Melting Point：

74-78 °C(lit.)

Boiling Point：

212.1ºC at 760mmHg

Flash Point：

82.1±25.9 °C

Refractive Index：

1.570

Safety Information

Hazard category：

IRRITANT

Transport codes：

UN 2811 6.1/PG 3

wgk germany：

hazard class code：

25-36/37/38

safety instructions：

28-45

Marks：

T,Xi

Hazard note：

Irritant

Precautionary statement(s)：

P261-P301 + P310-P305 + P351 + P338

Hazard Statements：

H301-H315-H319-H335

GHS Classification：

|Danger|H301 (84.78%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-BROMO-2,5-DIFLUOROANILINE Use and Manufacturing

N-Bromosuccinimide (178 g, 1.0 mol) was added over 20 mm to a solution of 2, 5-difluoroaniline (129 g, 1.0 mol) in acetonitrile (1 L) at 0 °C. The resulting mixture was stirred at room temperature for 3 h, concentrated in vacuo, and poured into water (2 L). The mixture was extracted with ethyl acetate (2x500 mL), washed (200 mL brine), dried (Na2SO4), and concentrated under reduced pressure. The residue was re-crystallized from PE (1 L) to afford the title compound as a gray solid (200 g). 1H NMR (400 MHz, DMSO-d6): ö 7.54-7.50 (m, 1H), 6.79-6.74 (m, 1H), 5.44 (s, 2H).To a solution of

Computed Properties

Molecular Weight:208.00
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:206.94952
Monoisotopic Mass:206.94952
Topological Polar Surface Area:26
Heavy Atom Count:10
Complexity:122
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 112279-60-4

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Guide of 4-BROMO-2,5-DIFLUOROANILINE

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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