2-Fluorobenzonitrile

HCID 67855CAS 394-47-8
Substructure searchFind similar structures

Basic information

Standard SMILES
N#Cc1ccccc1F
InChIKey
GDHXJNRAJRCGMX-UHFFFAOYSA-N
Molecular formula
C7H4FN
Average molar mass
121.11 g/mol
Monoisotopic mass
121.03277735

Names & identifiers

Preferred name
2-Fluorobenzonitrile
IUPAC
2-fluorobenzonitrile
English name
2-Fluorobenzonitrile
Molecular formula
C7H4FN
Molecular weight
121.11

Names & synonyms

2-FluorobenzonitrileBenzonitrile, 2-fluoro-EINECS 206-897-7NSC 88278DTXSID60599422-FLUORO-BENZOIC ACID-NITRILERefChem:87149DTXCID1039630206-897-7GDHXJNRAJRCGMX-UHFFFAOYSA-NInChI=1/C7H4FN/c8-7-4-2-1-3-6(7)5-9/h1-4394-47-8
Show more names
2-FBNuorobenzonitriL2-fluoronitrile2-FluorbenzonitrilO-Fluorobenzonitile2-Fluorocyanobenzene
o-Fluorobenzonitrileo-Cyanofluorobenzene2-CyanofluorobenzeneBenzonitrile, o-fluoro-MFCD000017732-fluorobenzenenitrilefluorobenzonitrile2-fluorobenzenecarbonitrile

Database identifiers

CAS
394-47-8
PubChem CID
67855
DTXSID
DTXSID6059942
UNII
C2EJ9H4G6R
EC Number
206-897-7
Nikkaji
J149.718I

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
23.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
9

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physicochemical properties

Melting point
-13.7 °C · -13.7 °C
Boiling point
90 °C21 · 90 °C21 mm Hg(lit.)
Density
1.116 g/mL · 1.116 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.505(lit.)
Flash point
165 °F · 165 °F
storage temp.
Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationChemical: Benzonitrile, 2-fluoro-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
tsca
TSCA listed
ridadr
3276
hs_code
29269095
risk_code
22-37/38-41-36/37/38-20/21/22

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzonitrile, 2-fluoro-: INACTIVE
Applications · 3 items

Uses2-Fluorobenzonitrile, also known as o-fluorobenzonitrile, is an organic aromatic fluoride. It has a wide range of applications in pharmaceuticals, pesticides, dyestuffs, etc. In the field of dyestuff, the introduction of fluorine atom makes the dyed products bright and colorful and less likely to fade, among other advantages.

Uses2-Fluorobenzonitrile was used in the synthesis of :3-amino-1,2-benzisoxazoles6-(acetylaminomethyl)-3-amino-1,2-benzisoxazole5-(4′-methyl [1, 1′-biphenyl]-2-yl)-1H-tetrazolexanthone-iminium triflates

General Description2-Fluorobenzonitrile reacts with lithium N,N-dialkylaminoborohydride reagent to yield 2-(N,N-dialkylamino)benzylamines.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
湖北博杰生物科技有限公司0713-2060728 15629612610
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

Related reactions

274 records
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Linked notes

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