CAS 207853-64-3 2-Fluoro-4-(trifluoromethyl)benzamide (HCID 605689)

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Basic information

CAS: 207853-64-3
Standard SMILES: NC(=O)c1ccc(C(F)(F)F)cc1F
InChIKey: BQNZIRSNAKWERJ-UHFFFAOYSA-N
Molecular formula: C8H5F4NO
Average molar mass: 207.12 g/mol
Monoisotopic mass: 207.03072666

Names & identifiers

Preferred name: 2-Fluoro-4-(trifluoromethyl)benzamide
IUPAC: 2-fluoro-4-(trifluoromethyl)benzamide
English name: 2-FLUORO-4-(TRIFLUOROMETHYL)BENZAMIDE
Molecular formula: C8H5F4NO
Molecular weight: 207.12

Names & synonyms

2-Fluoro-4-(trifluoromethyl)benzamide207853-64-3DTXSID00345584RefChem:260914DTXCID90296657BQNZIRSNAKWERJ-UHFFFAOYSA-NBenzamide, 2-fluoro-4-(trifluoromethyl)-MFCD000611472-fluoro-4-trifluoromethylbenzamide2-fluoro-4-trifluoromethyl-benzamideSCHEMBL2920377PS-8066

Show more names

à,à,à,2-tetrafluoro-p-toluamide4-Carbamoyl-3-fluorobenzotrifluoride2-Fluoro-4-(trifluoromethyl)benzamide97%2-Fluoro-4-(trifluoromethyl)benzamide 97%alpha,alpha,alpha,2-Tetrafluoro-p-toluamide2-fluoro-4-(trifluoromethyl)benzamide - [F84625]

SB77571SY062099FT-0612323Benzamide, 2-fluoro-4-(A814896SCHEMBL5186088SBB093809AKOS015853347

Database identifiers

CAS: 207853-64-3
PubChem CID: 605689
DTXSID: DTXSID00345584
EC Number: 671-140-3

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 43.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 228

Physicochemical properties

Melting point: 140 · 140-142°C
Boiling point: 209.1 · 209.1±40.0 °C(Predicted)
Density: 1.42 · 1.420±0.06 g/cm3(Predicted)
storage temp.: Store at room temperature
form: crystalline needles
pka: 14.63 · 14.63±0.50(Predicted)
color: White
CAS DataBase Reference: 207853 · 207853-64-3(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-22
Safety Statements: 26 · 26-36/37/39
HazardClass

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.