Basic information
- CAS
503-20-8- Standard SMILES
N#CCF- InChIKey
GNFVFPBRMLIKIM-UHFFFAOYSA-N- Molecular formula
- C2H2FN
- Average molar mass
- 59.04 g/mol
- Monoisotopic mass
- 59.01712728
Names & identifiers
- Preferred name
- Acetonitrile, fluoro-
- IUPAC
- 2-fluoroacetonitrile
- English name
- Fluoroacetonitrile
- Molecular formula
- C2H2FN
- Molecular weight
- 59.04
Names & synonyms
Fluoroacetonitrile503-20-8ACETONITRILE, FLUORO-Fluoromethyl cyanideMonofluoroacetonitrileBRN 1697891DTXSID10198301RefChem:552411DTXCID00120792610-523-12-fluoroacetonitrileMFCD00009969
Show more names
SKL071Floroacetonitrilefluoro-acetonitril2-fluoroethanenitrileFluoroacetonitrile,99%
4-02-00-00455 (Beilstein Handbook Reference)C2H2FNfluoro-acetonitrile2-fluoro-acetonitrileFCH2CNFluoroacetonitrile, 98%SCHEMBL575089SCHEMBL869056
Database identifiers
- CAS
503-20-8- PubChem CID
- 10420
- DTXSID
DTXSID10198301- EC Number
- 610-523-1
- Nikkaji
- J55.004C
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 4
- Formal charge
- 0
- Complexity
- 41.2
Experimental & physicochemical properties
SpringerMaterials PropertiesCoriolis coupling
Physicochemical properties
- Melting point
- -13 °C · -13 °C
- Boiling point
- 79 · 79-80 °C (lit.)
- Density
- 1.061 g/mL · 1.061 g/mL at 25 °C (lit.)
- refractive index
- 1.333 · 1.333
- Flash point
- 7 °F · 7°F
- Water Solubility
- Slightly soluble in water
- form
- clear liquid
- color
- Colorless to Almost colorless
- InChI
- InChI=1S/C2H2FN/c3-1-2-4/h1H2
- InChIKey
- GNFVFPBRMLIKIM-UHFFFAOYSA-N
- SMILES
- C(#N)CF
- CAS DataBase Reference
- 503 · 503-20-8(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- NIST Chemistry Reference
- Fluoroacetonitrile(503-20-8)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS06
- Signal word
- Danger
- Hazard statements
- 225 · H225-H301+H311+H331-H315-H319-H335
- Precautionary statements
- 210 · P210-P280-P301+P310-P303+P361+P353-P304+P340+P311-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- F;T,T,F
- Risk Statements
- 11 · 11-23/24/25-36/37/38
- Safety Statements
- 16 · 16-26-27-36/37/39-45
- RIDADR
- 3273 · UN 3273
- WGK Germany
- 3 · 3
- RTECS
- 175000 · AM0175000
- HazardClass
- 3.1 · 3.1
- PackingGroup
- II
- HS Code
- 2926907090 · 2926907090
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 3 DermalAcute · Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralEye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- rtecs
- AM0175000
- ridadr
- UN 3273
- hs_code
- 2926907090
- risk_code
- 11-23/24/25-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS06
- hazard_code
- F;T,T,F
- safety_code
- 16-26-27-36/37/39-45
- hazard_class
- 3.1
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- target organs
- Respiratory system
- Hazard statements
- H225-H301+H311+H331-H315-H319-H335
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralEye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P210-P280-P301+P310-P303+P361+P353-P304+P340+P311-P305+P351+P338
Chemistry & industry
Applications
UsesFluoroacetonitrile 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.
UsesFluoroacetonitrile has been used in preparation of:2-fluoromethyl-4,4,6-trimethyl-1,3-oxazineα-fluorinated acetophenone2-amino-2-fluoromethyl-3-pentenenitrile, a key intermediate in the synthesis of 2,5-diamino-2-fluoromethyl-3(E)-pentenoic acid
Upstream & downstream products
Downstream products
Suppliers96 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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Related reactions
30 records
Compound notes
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