Basic information
- CAS
140675-43-0- Standard SMILES
N#Cc1c(O)cccc1F- InChIKey
YEBHNFDMNFHZFF-UHFFFAOYSA-N- Molecular formula
- C7H4FNO
- Average molar mass
- 137.11 g/mol
- Monoisotopic mass
- 137.02769197
Names & identifiers
- Preferred name
- 2-Fluoro-6-hydroxybenzonitrile
- IUPAC
- 2-fluoro-6-hydroxybenzonitrile
- English name
- 2-Fluoro-6-hydroxybenzonitrile
- Molecular formula
- C7H4FNO
- Molecular weight
- 137.11
Names & synonyms
2-fluoro-6-hydroxybenzonitrile140675-43-02-Cyano-3-FluorophenolDTXSID00382515RefChem:472534DTXCID80333540642-487-86-fluorosalicylonitrileBenzonitrile, 2-fluoro-6-hydroxy-2-Fluoro-6-hydroxy-benzonitrileMFCD034285926-Fluoro-2-hydroxybenzonitrile
Show more names
2-fuoro-6-hydroxybenzonitrle2-Fluoro-6-hydroxybenzonitrile >2-Fluoro-6-hydroxybenzonitrile 99%2-FLUORO-6-HYDROXYBENZONITRILE,98+%Benzonitrile, 2-fluoro-6-hydroxy- (9CI)
CL8166F0985EN300-433172-FLUORO-6-HYDROXYBENZONITRLEFT-0643319SCHEMBL309782-hydroxy-6-fluorobenzonitrileSCHEMBL3154084
Database identifiers
- CAS
140675-43-0- PubChem CID
- 2783216
- DTXSID
DTXSID00382515- EC Number
- 642-487-8
- Nikkaji
- J1.092.459F
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 44 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Melting point
- 156 · 156-158°C
- Boiling point
- 257.5 · 257.5±25.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 6.17 · 6.17±0.10(Predicted)
- color
- White to Light yellow
- BRN
- 8403914 · 8403914
- InChI
- InChI=1S/C7H4FNO/c8-6-2-1-3-7(10)5(6)4-9/h1-3,10H
- InChIKey
- YEBHNFDMNFHZFF-UHFFFAOYSA-N
- SMILES
- C(#N)C1=C(O)C=CC=C1F
- CAS DataBase Reference
- 140675 · 140675-43-0(CAS DataBase Reference)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 302 · H302-H312-H315-H319-H331-H335
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301+H311+H331 (11.1%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 9 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (22.2%)
Safety data
- ridadr
- 3276
- hs_code
- 2926907090
- risk_code
- 20/22-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H302-H312-H315-H319-H331-H335
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海莉凯化工技术有限公司16628776521 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [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]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Related reactions
17 records
Compound notes
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