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Home > Encyclopedia > 5-BROMO-2-METHOXYPHENETHYL ISOCYANATE

5-BROMO-2-METHOXYPHENETHYL ISOCYANATE

5-BROMO-2-METHOXYPHENETHYL ISOCYANATE structure

5-BROMO-2-METHOXYPHENETHYL ISOCYANATE 

structure
  • CAS No:

    480439-04-1

  • Formula:

    CH3OC6H3(Br)(CH2CH2NCO)

  • Chemical Name:

    5-BROMO-2-METHOXYPHENETHYL ISOCYANATE

5-BROMO-2-METHOXYPHENETHYL ISOCYANATE Basic Attributes

256.1

254.98900

DTXSID40399900

2929109000

Characteristics

38.7

2.33600

1.454 g/mL at 25ºC(lit.)

280-281 °C(lit.)

>230 °F

n20/D 1.5620(lit.)

Safety Information

3

20/21/22-36/37/38-42

23-26-36

Xn

P261, P264, P270, P271, P272, P280, P285, P301+P312, P302+P352, P304+P312, P304+P340, P304+P341, P305+P351+P338, P312, P321, P322, P330, P332+P313, P333+P313, P337+P313, P342+P311, P362, P363, P403+P233, P405, P501

H302

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P272, P280, P285, P301+P312, P302+P352, P304+P312, P304+P340, P304+P341, P305+P351+P338, P312, P321, P322, P330, P332+P313, P333+P313, P337+P313, P342+P311, P362, P363, 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.

Computed Properties

Molecular Weight:256.10
XLogP3:3.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:254.98949
Monoisotopic Mass:254.98949
Topological Polar Surface Area:38.7
Heavy Atom Count:14
Complexity:216
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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