6-(Dimethylamino)-2-fluoro-3-formylbenzonitrile

HCID 2736728

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Basic information

CAS: 148901-53-5
Standard SMILES: CN(C)c1ccc(C=O)c(F)c1C#N
InChIKey: ZGQREXNGDAXSQI-UHFFFAOYSA-N
Molecular formula: C10H9FN2O
Average molar mass: 192.19 g/mol
Monoisotopic mass: 192.06989113

Names & identifiers

Preferred name: 6-(Dimethylamino)-2-fluoro-3-formylbenzonitrile
IUPAC: 6-(dimethylamino)-2-fluoro-3-formylbenzonitrile
English name: 3-Cyano-4-dimethylamino-2-fluorobenzaldehyde
Molecular formula: C10H9FN2O
Molecular weight: 192.19

Names & synonyms

148901-53-56-(dimethylamino)-2-fluoro-3-formylbenzonitrileDTXSID70371557RefChem:306794DTXCID403225913-Cyano-4-dimethylamino-2-fluorobenzaldehyde3-Cyano-4-(dimethylamino)-2-fluorobenzaldehydeMFCD00052668Benzonitrile, 6-(dimethylamino)-2-fluoro-3-formyl-6-(Dimethylamino)-2-Fluoro-3-Formyl-Benzonitrile6-(dimethylamino)-2-fluoro-3-formylbenzenecarbonitrileSCHEMBL1591771

Show more names

1809503-Cyano-4-(dimethylamino)-2-fluorobenzaldehyde97%3-Cyano-4-(dimethylamino)-2-fluorobenzaldehyde 97%6-(Dimethylamino)-2-fluoro-3-formylbenzonitrile 97%6-(Dimethylamino)-2-fluoro-3-formylbenzonitrile, 95+%3-Cyano-4-(dimethylamino)-2-fluorobenzaldehyde, 2-Cyano-N,N-dimethyl-3-fluoro-4-formylaniline

ZGQREXNGDAXSQI-UHFFFAOYSA-NSBB064632STL352083AKOS006228637PS-8330DB-042958ST510414486-dimethylamino-2-fluoro-3-formylbenzonitrile

Database identifiers

CAS: 148901-53-5
PubChem CID: 2736728
DTXSID: DTXSID70371557
EC Number: 670-850-0
Nikkaji: J545.376C

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 44.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 258

Physicochemical properties

Melting point: 122 · 122-124°C
Boiling point: 309 · 309.0±42.0 °C(Predicted)
Density: 1.22 · 1.22±0.1 g/cm3(Predicted)
pka: -1.37 · -1.37±0.40(Predicted)
CAS DataBase Reference: 148901 · 148901-53-5(CAS DataBase Reference)
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301+H311+H331
Precautionary statements: 260 · P260-P271-P280
Hazard Codes: T,Xn
Risk Statements: 20 · 20/21/22-36/37/38-22
Safety Statements: 26 · 26-36/37/39
HazardClass: TOXIC
HS Code: 2926907090 · 2926907090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, 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.