Basic information
- Standard SMILES
Fc1ccccc1S- InChIKey
WJTZZPVVTSDNJJ-UHFFFAOYSA-N- Molecular formula
- C6H5FS
- Average molar mass
- 128.17 g/mol
- Monoisotopic mass
- 128.00959938
Names & identifiers
- Preferred name
- 2-Fluorothiophenol
- IUPAC
- 2-fluorobenzenethiol
- English name
- 2-FLUOROTHIOPHENOL
- Molecular formula
- C6H5FS
- Molecular weight
- 128.17
Names & synonyms
2-Fluorothiophenol2557-78-0DTXSID70334283RefChem:472679DTXCID80285373628-769-32-Fluorobenzenethiolo-Fluorothiophenol2-FLUOROBENZENE-1-THIOL2-fluoro-benzenethiolMFCD00041419fluorothiophenol
Show more names
2-Fluorothiphenoleo-Fluoro Thiophenol2-Fluorothiophenol98%2-Fluorothiophenol,97%2-Fluorothiophenol 98%
2-fluorobenzene thiol2-Mercaptofluorobenzene(2-fluorophenyl)sulfanideF0419EN300-07354F17745o-fluorobenzenethiol2-fluoro-thiophe
Database identifiers
- CAS
2557-78-0- PubChem CID
- 520216
- DTXSID
DTXSID70334283- EC Number
- 628-769-3
- Nikkaji
- J927.975J
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 74.9
Experimental & physicochemical properties
LogP1.9
Physicochemical properties
- Boiling point
- 61 · 61-62 °C/35 mmHg (lit.)
- Density
- 1.2 g/mL · 1.2 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.557(lit.)
- Flash point
- 118 °F · 118 °F
- storage temp.
- 2 · 2-8°C
- pka
- 6 · 6.00±0.43(Predicted)
- form
- clear liquid
- color
- Colorless to Light yellow to Light orange
- Specific Gravity
- 1.2 · 1.20
- Sensitive
- Stench
- BRN
- 2039768 · 2039768
- InChI
- 1S/C6H5FS/c7-5-3-1-2-4-6(5)8/h1-4,8H
- InChIKey
- WJTZZPVVTSDNJJ-UHFFFAOYSA-N
- SMILES
- Fc1ccccc1S
- CAS DataBase Reference
- 2557 · 2557-78-0(CAS DataBase Reference)
- NIST Chemistry Reference
- O-fluorothiophenol(2557-78-0)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07,GHS06
- Signal word
- Warning
- Hazard statements
- 300 · H300-H310-H331-H226-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338-P210-P233-P240-P241+P242+P243-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501-P280h-P309-P310
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi,T
- Risk Statements
- 10 · 10-36/37/38
- Safety Statements
- 16 · 16-26-36-36/37/39-27
- RIDADR
- 1993 · UN 1993 3/PG 3
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant/Stench
- HazardClass
- 3 · 3
- PackingGroup
- III
- HS Code
- 29309090 · 29309090
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 2 Flam · Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29309090
- risk_code
- 10-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07,GHS06
- hazard_code
- Xi,T
- hazard_note
- Irritant/Stench
- safety_code
- 16-26-36-36/37/39-27
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H300-H310-H331-H226-H315-H319-H335
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P305+P351+P338-P210-P233-P240-P241+P242+P243-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501-P280h-P309-P310
Chemistry & industry
Applications
Uses2-Fluorothiophenol was used in the synthesis of 2-bromo-2′-fluorodiphenyl sulfide.
Upstream & downstream products
Downstream products
Suppliers50 total
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Related reactions
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