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2-Bromo-4-fluoroaniline

2-Bromo-4-fluoroaniline structure

CAS No:
1003-98-1
Formula:
C6H5BrFN
Chemical Name:
2-Bromo-4-fluoroaniline
Synonyms:
Bromofluoroaniline1;2-Bromo-4-fluoroanil;4-FLUORO-2-BROMOANILINE;2-BROMO-4-FLUOROANILINE;2-Bromo-4-fluoroaniline99%;2-Bromo-4-fluoroaniline99%;2-BROMO-4-FLUORO-PHENYLAMINE;2-BROMO-4-FLUOROANILINE98+%;Benzenamine,2-bromo-4-fluoro-;2-broMine-4-fluoroaniline
Categories:
Organic Chemistry > Organic Fluorine Compound

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Description

Clear yellow-brown liquid

2-Bromo-4-fluoroaniline Basic Attributes

Molecular Weight：

190.01

Exact Mass：

188.958939

BRN：

2802562

EC Number：

-0

NSC Number：

51870

DSSTox ID：

DTXSID00287632

HScode：

29214200

Characteristics

PSA：

XLogP3：

2.1

Appearance：

Clear yellow-brown Liquid

Density：

1.67 g/mL at 25 °C(lit.)

Melting Point：

Boiling Point：

221 °C(lit.)

Flash Point：

220 °F

Refractive Index：

n 20/D 1.583(lit.)

Storage Conditions：

Store in a cool, dry place. Store in a tightly closed container.

Vapor Pressure：

0.0743mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN2810

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-37/39

Marks：

Xi,T

Hazard note：

Toxic

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H302 (19.15%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 47 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Bromo-4-fluoroaniline Use and Manufacturing

Add 200 mL distilled DMF and 4-fluoroaniline (8.64 mL, 58.13 mmol) to a two neck flask. Slowly dropwise N-Bromosuccinimide (11.4 g, 63.95 mmol) dissolved in DMF. When the reaction is complete, extract with CH2Cl2. Purification by column separation (EA: Hx = 1: 4) (yield: 95percent)

Computed Properties

Molecular Weight:190.01
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:188.95894
Monoisotopic Mass:188.95894
Topological Polar Surface Area:26
Heavy Atom Count:9
Complexity:99.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 1003-98-1

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