4-Bromo-2,3,5,6-tetrafluorobenzonitrile
Basic information
- CAS
17823-40-4- Standard SMILES
N#Cc1c(F)c(F)c(Br)c(F)c1F- InChIKey
STJZOKCIEOTPDV-UHFFFAOYSA-N- Molecular formula
- C7BrF4N
- Average molar mass
- 253.98 g/mol
- Monoisotopic mass
- 252.91502
Names & identifiers
- Preferred name
- 4-Bromo-2,3,5,6-tetrafluorobenzonitrile
- IUPAC
- 4-bromo-2,3,5,6-tetrafluorobenzonitrile
- English name
- 4-Bromo-2,3,5,6-tetrafluorobenzonitrile
- Molecular formula
- C7BrF4N
- Molecular weight
- 253.98
Names & synonyms
4-Bromo-2,3,5,6-tetrafluorobenzonitrile17823-40-4DTXSID20347328RefChem:98018DTXCID00298400625-500-1STJZOKCIEOTPDV-UHFFFAOYSA-N4-BromotetrafluorobenzonitrileMFCD00075282Benzonitrile, 4-bromo-2,3,5,6-tetrafluoro-4-bromo-2,3,5,6-tetrafluoro-benzonitrile4-bromotetrafluoro-benzonitrile
Show more names
4-Bromotetrafluorobenzonitrile 98%4-Bromo-2,3,5,6-tetrafluorobenzonitrile98%4-Bromo-2,3,5,6-tetrafluorobenzonitrile 98%4-Bromo-2,3,5,6-tetrafluorobenzonitrile, Perfluoro-4-bromobenzonitrile
SCHEMBL3474652SBB101343AKOS015911911AS-48256SY316274CS-0121160F300634-bromo-2,3,5,6-tetrafluorobenzenecarbonitrile
Database identifiers
- CAS
17823-40-4- PubChem CID
- 620140
- DTXSID
DTXSID20347328- EC Number
- 625-500-1
- Nikkaji
- J1.320.259A
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 224
Physicochemical properties
- Melting point
- 77 · 77-79 °C (lit.)
- Boiling point
- 99 °C · 99 °C(Press: 15 Torr)
- Density
- 1.91 · 1.91±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- solid
- color
- White
- InChI
- 1S/C7BrF4N/c8-3-6(11)4(9)2(1-13)5(10)7(3)12
- InChIKey
- STJZOKCIEOTPDV-UHFFFAOYSA-N
- SMILES
- Fc1c(F)c(C#N)c(F)c(F)c1Br
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn,Xi
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36
- RIDADR
- 3276 · 3276
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- HS Code
- 2926907090 · 2926907090
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
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, 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 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- ridadr
- 3276
- hs_code
- 2926907090
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
Chemistry & industry
Applications
Uses4-Bromo-2,3,5,6-tetrafluorobenzonitrile may be used in chemical synthesis.
General Description4-Bromo-2,3,5,6-tetrafluorobenzonitrile, a polyfluoroarene, is an aryl fluorinated building block.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
1 records
Compound notes
Loading…