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2-FUROYLACETONITRILE

2-FUROYLACETONITRILE structure

CAS No:
31909-58-7
Formula:
C7H5NO2
Chemical Name:
2-FUROYLACETONITRILE
Synonyms:
JR-6684, 3-(Furan-2-yl)-3-oxopropanenitrile, 97%;BUTTPARK 82\12-56;3-(FURAN-2-YL)-3-OXOPROPANENITRILE;3-(2-FURYL)-3-OXOPROPANENITRILE;2-FUROYLACETONITRILE;SALOR-INT L132853-1EA;3-Fur-2-yl-3-oxopropanenitrile;2-Furoylacetonitrile,97%
Categories:
Pharmaceutical Intermediates > Ophthalmic Agents

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2-FUROYLACETONITRILE Basic Attributes

Molecular Weight：

135.12

Exact Mass：

135.032028402 g/mol

DSSTox ID：

DTXSID90185759

Characteristics

PSA：

54 Å²

Density：

1.3124

Melting Point：

81-85 °C (lit.)

Boiling Point：

248.79°C (rough estimate)

Refractive Index：

1.5800 (estimate)

PKA：

7.12±0.10

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

wgk germany：

hazard class code：

20/21/22-36/37/38

safety instructions：

26-36

Marks：

Xn,Xi

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 42 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-FUROYLACETONITRILE Use and Manufacturing

2-Furoylacetonitrile is used in the synthesis of compounds that display anti-Trypanosoma cruzi activity. This is primarily for combating Chagas disease.

Computed Properties

Molecular Weight:135.12
XLogP3:0.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:135.032028402
Monoisotopic Mass:135.032028402
Topological Polar Surface Area:54
Heavy Atom Count:10
Complexity:179
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2-FUROYLACETONITRILE

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CAS No.: 31909-58-7

Grade: Pharmaceutical Grade

Content: 99%

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