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5,6-Difluoro-1H-indole

5,6-Difluoro-1H-indole structure

CAS No:
169674-01-5
Formula:
C8H5F2N
Chemical Name:
5,6-Difluoro-1H-indole
Synonyms:
1H-Indole,5,6-difluoro-;5,6-Difluoro-1H-indole;5,6-Difluoroindole
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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5,6-Difluoro-1H-indole Basic Attributes

Molecular Weight：

153.13

Exact Mass：

153.13

DSSTox ID：

DTXSID10381099

Characteristics

Density：

1.388±0.06 g/cm3

Boiling Point：

264.5±20.0 °C(Predicted)

PKA：

15.56±0.30

Safety Information

Hazard category：

IRRITANT

hazard class code：

36/37/38

safety instructions：

26-37/39

Marks：

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

Computed Properties

Molecular Weight:153.13
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:153.03900549
Monoisotopic Mass:153.03900549
Topological Polar Surface Area:15.8
Heavy Atom Count:11
Complexity:151
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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