2-Chloro-6-fluorobenzamide

HCID 98564CAS 66073-54-9

Substructure search Find similar structures

Basic information

Standard SMILES: NC(=O)c1c(F)cccc1Cl
InChIKey: KLOZZZNFJYMTNE-UHFFFAOYSA-N
Molecular formula: C7H5ClFNO
Average molar mass: 173.57 g/mol
Monoisotopic mass: 173.00436968

Names & identifiers

Preferred name: 2-Chloro-6-fluorobenzamide
IUPAC: 2-chloro-6-fluorobenzamide
English name: 2-Fluoro-6-chlorobenzamide
Molecular formula: C7H5ClFNO
Molecular weight: 173.57

Names & synonyms

2-Chloro-6-fluorobenzamide66073-54-9EINECS 266-123-9DTXSID50216275NSC 148353RefChem:86332DTXCID50138766266-123-92-Fluoro-6-chlorobenzamide2-chloro-6-fluoro-benzamideBenzamide, 2-chloro-6-fluoro-MFCD00055436

Show more names

buy cas 66073-54-9cas 66073-54-9 for salecas 66073-54-9 price USDcas 66073-54-9 FOB price2-Chloro-6-fluorobenzamide97%2-Fluoro-6-chlorobenzamide 98%2-Chloro-6-fluorobenzamide 97%

NSC-148353NSC148353RR4YAU8F8J6-chloro-2-fluorobenzamideorb3031564SCHEMBL2867748Fr12215SBB088813

Database identifiers

CAS: 66073-54-9
PubChem CID: 98564
DTXSID: DTXSID50216275
UNII: RR4YAU8F8J
EC Number: 266-123-9
Nikkaji: J308.923A

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 43.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 165

Physicochemical properties

Melting point: 139 °C · 139 °C
Boiling point: 226.2 · 226.2±30.0 °C(Predicted)
Density: 1.396 · 1.396±0.06 g/cm3(Predicted)
storage temp.: Store at room temperature
pka: 14.63 · 14.63±0.50(Predicted)
Appearance: White to light brown Solid
CAS DataBase Reference: 66073 · 66073-54-9(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: Xn,Xi
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 22 · 22-26-36/37/39
Hazard Note: Irritant
HS Code: 2924297099 · 2924297099

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.