Basic information
- CAS
64248-64-2- Standard SMILES
N#Cc1cc(F)ccc1F- InChIKey
OJTMHIMQUQOLJV-UHFFFAOYSA-N- Molecular formula
- C7H3F2N
- Average molar mass
- 139.1 g/mol
- Monoisotopic mass
- 139.02335554
Names & identifiers
- Preferred name
- 2,5-Difluorobenzonitrile
- IUPAC
- 2,5-difluorobenzonitrile
- English name
- 2,5-Difluorobenzonitrile
- Molecular formula
- C7H3F2N
- Molecular weight
- 139.1
Names & synonyms
2,5-Difluorobenzonitrile64248-64-2Benzonitrile, 2,5-difluoro-DTXSID20214465EINECS 264-753-9RefChem:82846DTXCID20136956264-753-9OJTMHIMQUQOLJV-UHFFFAOYSA-NMFCD000017772,5-Difluoro-Benzonitrile2,5 difluorobenzonitrile
Show more names
2,5-difluoro nitrile2,5-Difluorobenzonit2,5-Difluorobenzonitrle2,5-difluorobenzylnitrile2,5-Difluorobenzonitrile >2,5-Difluorobenzonitrile 98%2,5-Difluorobenzonitrile,99%2,5-Difluorobenzonitrile,98%
2,5 -difluorobenzonitrileSCHEMBL748072,5-difluorobenzenecarbonitrileCS-W016483AC-4060SB740712,5-DIFLUORO BENZONITRILE2.5-difluoro benzonitrile
Database identifiers
- CAS
64248-64-2- PubChem CID
- 123558
- DTXSID
DTXSID20214465- UNII
- KV4R6B8YXU
- EC Number
- 264-753-9
- Nikkaji
- J208.420A
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Melting point
- 33 · 33-35 °C (lit.)
- Boiling point
- 188 °C · 188 °C
- Density
- 1.249 · 1.2490 (estimate)
- Flash point
- 172 °F · 172 °F
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to lump to clear liquid
- color
- White or Colorles to Yellow to Orange
- BRN
- 2085640 · 2085640
- InChI
- 1S/C7H3F2N/c8-6-1-2-7(9)5(3-6)4-10/h1-3H
- InChIKey
- OJTMHIMQUQOLJV-UHFFFAOYSA-N
- SMILES
- Fc1ccc(F)c(c1)C#N
- CAS DataBase Reference
- 64248 · 64248-64-2(CAS DataBase Reference)
- NIST Chemistry Reference
- 2 · 2,5-Difluorobenzonitrile(64248-64-2)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (93.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (93.6%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- ridadr
- UN 1325 4.1/PG 2
- hs_code
- 29269090
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS06,GHS07
- hazard_code
- Xn,T,Xi
- hazard_note
- Toxic
- safety_code
- 26-36/37/39-36/37
- hazard_class
- 6.1
- Storage Class
- 4.1B - Flammable solid hazardous materials
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H301+H311+H331-H302+H312+H332-H315-H319-H335-H302-H312-H331
- Limited Quantities
- 0.5 Kg (solid)
Chemistry & industry
Applications
Uses2,5-Difluorobenzonitrile has been used in the preparation of dithiadiazolyl radicals.
General DescriptionElectronic transitions in 2,5-difluorobenzonitrile has been investigated by photoacoustic spectroscopy.
Upstream & downstream products
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
环生美森医药技术（山东）有限公司0531-88762217 18301471076 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
76 records
Compound notes
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