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2,5-Difluorobenzamide

2,5-Difluorobenzamide structure

CAS No:
85118-03-2
Formula:
C7H5F2NO
Chemical Name:
2,5-Difluorobenzamide
Synonyms:
Benzamide,2,5-difluoro-;2,5-Difluorobenzamide
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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2,5-Difluorobenzamide Basic Attributes

Molecular Weight：

157.12

Exact Mass：

157.12

EC Number：

285-655-2

DSSTox ID：

DTXSID40234241

HScode：

2924299090

Characteristics

PSA：

43.09000

XLogP3：

1.76400

Density：

1.348±0.06 g/cm3

Melting Point：

114 °C

Boiling Point：

194.2±30.0 °C(Predicted)

Flash Point：

71.2ºC

Refractive Index：

1.515

PKA：

14.72±0.50

Safety Information

Hazard category：

IRRITANT

hazard class code：

36/37/38-22

safety instructions：

26-36-36/37

Marks：

Xi,Xn

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 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:157.12
XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:157.03392011
Monoisotopic Mass:157.03392011
Topological Polar Surface Area:43.1
Heavy Atom Count:11
Complexity:163
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes