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N-(TERT-BUTOXYCARBONYL)-2-BROMOANILINE

N-(TERT-BUTOXYCARBONYL)-2-BROMOANILINE structure

CAS No:
78839-75-5
Formula:
BrC6H4HNCO2C(CH3)3
Chemical Name:
N-(TERT-BUTOXYCARBONYL)-2-BROMOANILINE
Synonyms:
N-Boc 2-broMoaniline;tert-butyl (2-broMophenyl)carbaMate;2-Bromo-N-(tert-butoxycarbonyl) aniline;N-(tert-Butoxycarbonyl)-2-bromoaniline 97%;tert-Butyl (2-bromophenyl)
Categories:
Organic Chemistry > Amides

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N-(TERT-BUTOXYCARBONYL)-2-BROMOANILINE Basic Attributes

Molecular Weight：

272.14

Exact Mass：

271.020782

DSSTox ID：

DTXSID10393753

HScode：

2924299090

Characteristics

PSA：

38.3

XLogP3：

3.2

Density：

1.4±0.1 g/cm3

Boiling Point：

110 °C0.3 mm Hg(lit.)

Flash Point：

>230 °F

Refractive Index：

1.570

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

N-(TERT-BUTOXYCARBONYL)-2-BROMOANILINE Use and Manufacturing

To a solution of 2-bromoaniline (3.43 g, 20 mmol) in THF (40 mL) was added di-tert-butyl dicarbonate (10.90 g, 50 mmol) and then the mixture was stirred under reflux for 3 days. To the reaction mixture was added ether (50 mL) and the organic layer was washed with saturated brine (50 mL*3) and dried over anhydrous MgSOBoc

Computed Properties

Molecular Weight:272.14
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:271.02079
Monoisotopic Mass:271.02079
Topological Polar Surface Area:38.3
Heavy Atom Count:15
Complexity:225
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-(TERT-BUTOXYCARBONYL)-2-BROMOANILINE

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Latest News
Learn More Other Chemicals

N-(TERT-BUTOXYCARBONYL)-2-BROMOANILINE

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