CAS 53130-45-3 2,4-Bis(trifluoromethyl)benzamide (HCID 2736099)

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Basic information

CAS: 53130-45-3
Standard SMILES: NC(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F
InChIKey: UFXIIQGMMJQZPG-UHFFFAOYSA-N
Molecular formula: C9H5F6NO
Average molar mass: 257.13 g/mol
Monoisotopic mass: 257.0275331

Names & identifiers

Preferred name: 2,4-Bis(trifluoromethyl)benzamide
IUPAC: 2,4-bis(trifluoromethyl)benzamide
English name: 2,4-Bis(trifluoromethyl)benzamide
Molecular formula: C9H5F6NO
Molecular weight: 257.13

Names & synonyms

2,4-Bis(trifluoromethyl)benzamide53130-45-3DTXSID20371128RefChem:246035DTXCID90322162MFCD00083536SCHEMBL10021634,6-bis-trifluoromethyl-benzamideSBB101836AKOS015852699JS-4109SY061854

Show more names

2,4-DI(TRIFLUOROMETHYL)BENZAMIDEBenzamide, 2,4-bis(trifluoromethyl)-2,4-Bis(trifluoromethyl)benzamide 97%2,4-Bis(trifluoromethyl)benzamide,97+%

DB-019860CS-0313493ST50827668C13393F004999

Database identifiers

CAS: 53130-45-3
PubChem CID: 2736099
DTXSID: DTXSID20371128
EC Number: 670-814-4

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 43.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 1
Heavy atoms: 17
Formal charge: 0
Complexity: 297

Physicochemical properties

CAS DataBase Reference: 53130 · 53130-45-3(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
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
HazardClass: IRRITANT
HS Code: 2924297099 · 2924297099

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.