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1-Azido-2,3,4,5,6-pentafluorobenzene

HCID 136993
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Basic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
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Basic information

CAS
1423-15-0
Standard SMILES
[N-]=[N+]=Nc1c(F)c(F)c(F)c(F)c1F
InChIKey
ZDEIQGWACCNREP-UHFFFAOYSA-N
Molecular formula
C6F5N3
Average molar mass
209.08 g/mol
Monoisotopic mass
209.00123782

Names & identifiers

Preferred name
1-Azido-2,3,4,5,6-pentafluorobenzene
IUPAC
1-azido-2,3,4,5,6-pentafluorobenzene

Names & synonyms

1-azido-2,3,4,5,6-pentafluorobenzeneRefChem:429564857-583-7Azide, pentafluorophenyl-1423-15-0perfluorophenylazideSCHEMBL15974848DTXSID00162011AKOS019149802EN300-279845

Database identifiers

CAS
1423-15-0
PubChem CID
136993
DTXSID
DTXSID00162011
EC Number
857-583-7
Nikkaji
J270.437D

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
14.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
1
Heavy atoms
14
Formal charge
0
Complexity
240

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Related reactions

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New reaction record

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Compound notes

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