2-Fluoro-6-(1H-pyrrol-1-yl)benzonitrile
Basic information
- CAS
148901-51-3- Standard SMILES
N#Cc1c(F)cccc1-n1cccc1- InChIKey
NPZSWZGYPPDMFS-UHFFFAOYSA-N- Molecular formula
- C11H7FN2
- Average molar mass
- 186.18 g/mol
- Monoisotopic mass
- 186.05932639
Names & identifiers
- Preferred name
- 2-Fluoro-6-(1H-pyrrol-1-yl)benzonitrile
- IUPAC
- 2-fluoro-6-pyrrol-1-ylbenzonitrile
- English name
- N-(2-Cyano-3-fluorophenyl)pyrrole
- Molecular formula
- C11H7FN2
- Molecular weight
- 186.19
Names & synonyms
148901-51-32-fluoro-6-(1h-pyrrol-1-yl)benzonitrileDTXSID20371562RefChem:261008DTXCID40322596N-(2-Cyano-3-fluorophenyl)pyrrole2-fluoro-6-pyrrol-1-ylbenzonitrileMFCD000522221-(2-cyano-3-fluorophenyl)pyrroleCDS1_000435Maybridge1_002723Benzonitrile, 2-fluoro-6-(1H-pyrrol-1-yl)-
Show more names
2-fluoro-6-(1-pyrrolyl)benzonitrileN-(2-Cyano-3-fluorophenyl)pyrrole97%N-(2-Cyano-3-fluorophenyl)pyrrole 97%
DivK1c_001475SCHEMBL10075587HMS549D17SBB0903952-fluoro-6-pyrrol-1-yl-benzonitrile6-fluoro-2-pyrrolylbenzenecarbonitrileAKOS005109934MS-3335
Database identifiers
- CAS
148901-51-3- PubChem CID
- 2736735
- DTXSID
DTXSID20371562- EC Number
- 671-998-9
- Nikkaji
- J545.373I
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Melting point
- 67 °C · 67 °C
- Boiling point
- 328.2 · 328.2±32.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- -6.54 · -6.54±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 332 · H332-H312-H302
- Precautionary statements
- 261 · P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501
- Hazard Codes
- Xi
- Risk Statements
- 10 · 10-20/21/22-36/37/38
- Safety Statements
- 23 · 23-36/37/39
- RIDADR
- 3275 · 3275
- Hazard Note
- Irritant
- HS Code
- 2933998090 · 2933998090
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- ridadr
- 3275
- hs_code
- 2933998090
- risk_code
- 10-20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 23-36/37/39
- Hazard statements
- H332-H312-H302
- Precautionary statements
- P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501
Suppliers
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Related reactions
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Compound notes
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