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N,N-DI-BOC-2-IODOANILINE

N,N-DI-BOC-2-IODOANILINE structure

CAS No:
870703-53-0
Formula:
C16H22INO4
Chemical Name:
N,N-DI-BOC-2-IODOANILINE
Categories:
Organic Chemistry > Amides

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N,N-DI-BOC-2-IODOANILINE Basic Attributes

Molecular Weight：

419.259

Exact Mass：

419.05900

DSSTox ID：

DTXSID90584566

Characteristics

PSA：

55.8

XLogP3：

4.96780

Density：

1.452g/cm3

Melting Point：

109-113 °C(lit.)

Boiling Point：

403.8ºC at 760 mmHg

Flash Point：

198ºC

Refractive Index：

1.565

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

safety instructions：

Marks：

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H302-H319

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, 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:419.25
XLogP3:4.5
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:419.05936
Monoisotopic Mass:419.05936
Topological Polar Surface Area:55.8
Heavy Atom Count:22
Complexity:383
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes