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Acetonitrile, fluoro-

Acetonitrile, fluoro- structure

CAS No:
503-20-8
Formula:
C2H2FN
Chemical Name:
Acetonitrile, fluoro-
Synonyms:
Acetonitrile,fluoro-;Fluoroacetonitrile;Fluoromethyl cyanide;Monofluoroacetonitrile;2-Fluoroacetonitrile;1800084-91-6
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Acetonitrile, fluoro- Basic Attributes

Molecular Weight：

59.042

Exact Mass：

59.04

DSSTox ID：

DTXSID10198301

HScode：

2926909090

Characteristics

PSA：

23.79000

XLogP3：

-0.39

Appearance：

colorless liquid

Density：

1.0730 g/cm³ @ Temp: 16 °C

Melting Point：

-13 °C

Boiling Point：

81.8-82 °C

Flash Point：

-13.9±0.0 °C

Refractive Index：

1.303

Safety Information

Packing level：

Hazard category：

3.1

Transport codes：

UN 3273

wgk germany：

hazard class code：

R11;R23/24/25;R36/37/38

safety instructions：

S16-S26-S27-S36/37/39-S45

RTECS Number：

AM0175000

Marks：

F:Flammable;T:Toxic;

Precautionary statement(s)：

P210-P261-P280-P301 + P310-P305 + P351 + P338-P311

Hazard Statements：

H225-H301 + H311 + H331-H315-H319-H335

GHS Classification：

|Danger|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P310, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Acetonitrile, fluoro- Use and Manufacturing

Fluoroacetonitrile is a water disinfectant byproduct that showed weak inhibition of rat hepatic glutathione S-transferases in vitro. Fluoroacetonitrile is also a reagent in the preparation of the PAD4 inhibitor F-Amidine.

Computed Properties

Molecular Weight:59.04
XLogP3:0.4
Hydrogen Bond Acceptor Count:2
Exact Mass:59.017127230
Monoisotopic Mass:59.017127230
Topological Polar Surface Area:23.8
Heavy Atom Count:4
Complexity:41.2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 503-20-8

Grade: Industrial Grade

Content: 99%

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