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2-Furancarbonitrile

2-Furancarbonitrile structure

CAS No:
617-90-3
Formula:
C5H3NO
Chemical Name:
2-Furancarbonitrile
Synonyms:
2-Furancarbonitrile;2-Furonitrile;2-Cyanofuran;2-Furyl cyanide;α-Furyl cyanide;2-Furylcarbonitrile;2-Furfuryl cyanide;NSC 35567
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Colorless to light yellow liqui

2-Furancarbonitrile Basic Attributes

Molecular Weight：

93.085

Exact Mass：

93.08

EC Number：

210-537-4

UNII：

2LRK86H722

NSC Number：

35567

DSSTox ID：

DTXSID40210707

HScode：

2932190090

Characteristics

PSA：

36.9

XLogP3：

Density：

1.04627 g/cm³ @ Temp: 20 °C

Melting Point：

147 °C @ Solvent: Benzene, Cyclohexane

Boiling Point：

147 °C

Flash Point：

95 °F

Refractive Index：

n20/D 1.479(lit.)

Water Solubility：

Soluble in most common organic solvents. Slightly soluble in water.

Safety Information

Packing level：

Ⅲ

Hazard category：

6.1

Transport codes：

1993

wgk germany：

hazard class code：

safety instructions：

S26-S36/37/39-S36/37-S16

Marks：

Xn:Harmful;

Precautionary statement(s)：

P280-P305 + P351 + P338

Hazard Statements：

H226-H302 + H312 + H332-H318

GHS Classification：

|Danger|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P322, P330, P363, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:93.08
XLogP3:1
Hydrogen Bond Acceptor Count:2
Exact Mass:93.021463719
Monoisotopic Mass:93.021463719
Topological Polar Surface Area:36.9
Heavy Atom Count:7
Complexity:102
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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