4-Amino-2,3,5,6-tetrafluorobenzonitrile

HCID 87322

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Basic information

CAS: 17823-38-0
Standard SMILES: N#Cc1c(F)c(F)c(N)c(F)c1F
InChIKey: ZFQKTZQBBRHWPC-UHFFFAOYSA-N
Molecular formula: C7H2F4N2
Average molar mass: 190.1 g/mol
Monoisotopic mass: 190.01541072

Names & identifiers

Preferred name: 4-Amino-2,3,5,6-tetrafluorobenzonitrile
IUPAC: 4-amino-2,3,5,6-tetrafluorobenzonitrile
English name: 4-AMINO-2,3,5,6-TETRAFLUOROBENZONITRILE
Molecular formula: C7H2F4N2
Molecular weight: 190.1

Names & synonyms

4-Amino-2,3,5,6-tetrafluorobenzonitrile4-AminotetrafluorobenzonitrileBenzonitrile, 4-amino-2,3,5,6-tetrafluoro-EINECS 241-783-0DTXSID7075131RefChem:97680DTXCID5035666241-783-017823-38-0MFCD000076454-Amino-2,3,5,6-Tetrafluoro-Benzonitrile4-amino-2,3,5,6-tetrafluorobenzenecarbonitrile

Show more names

4-Amino-2,3,5,6-tetrafluorobenzonitrile99%4-Amino-2,3,5,6-tetrafluorobenzonitrile 99%

4-Cyano-2,3,5,6-tetrafluoroaniline, 4-Amino-2,3,5,6-tetrafluorobenzonitrileSCHEMBL5154882SCHEMBL6656796TIMTEC-BB SBB0002814-Aminotetrafluorobenzonitrile 99%SBB000281AKOS006222288AT26912

Database identifiers

CAS: 17823-38-0
PubChem CID: 87322
DTXSID: DTXSID7075131
EC Number: 241-783-0
Nikkaji: J287.160B

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 49.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 0
Heavy atoms: 13
Formal charge: 0
Complexity: 222

Physicochemical properties

Melting point: 96 · 96-98 °C(lit.)
Boiling point: 234.9 · 234.9±40.0 °C(Predicted)
Density: 1.712 g/cm3 · 1.712 g/cm3
storage temp.: 2 · 2-8°C, protect from light, stored under nitrogen
pka: -3.09 · -3.09±0.10(Predicted)
Appearance: White to off-white Solid
CAS DataBase Reference: 17823 · 17823-38-0(CAS DataBase Reference)
EPA Substance Registry System: 4 · 4-Aminotetrafluorobenzonitrile (17823-38-0)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H335-H302+H312+H332-H315
Precautionary statements: 280 · P280-P309+P311
Hazard Codes: Xn,Xi
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 26 · 26-37/39
RIDADR: 3439 · 3439
WGK Germany: 3 · 3
Hazard Note: Irritant
HS Code: 2926907090 · 2926907090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.