4-Amino-2,3-difluorobenzotrifluoride

HCID 2735902

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Basic information

CAS: 123950-46-9
Standard SMILES: Nc1ccc(C(F)(F)F)c(F)c1F
InChIKey: RRTVKWPCWJVMGM-UHFFFAOYSA-N
Molecular formula: C7H4F5N
Average molar mass: 197.1 g/mol
Monoisotopic mass: 197.02638994

Names & identifiers

Preferred name: 4-Amino-2,3-difluorobenzotrifluoride
IUPAC: 2,3-difluoro-4-(trifluoromethyl)aniline
English name: 2.3-Difluoro 4-trifluoromethoxyaniline
Molecular formula: C7H4F5N
Molecular weight: 197.11

Names & synonyms

123950-46-94-Amino-2,3-difluorobenzotrifluorideDTXSID70371012RefChem:289761DTXCID903220462,3-difluoro-4-(trifluoromethyl)anilineBenzenamine, 2,3-difluoro-4-(trifluoromethyl)-MFCD002362062.3-DIFLUORO 4-TRIFLUOROMETHOXYANILINE2,3-DIFLUORO-4-(TRIFLUOROMETHYL)BENZENAMINE2,3-difluoro-4-(trifluoromethyl)phenylamineSCHEMBL922455

Show more names

4-AMINO-2,3-DIFLUOROBENZOTRIFLUOROIDE

SBB0921102,3-difluoro-4-amino-benzotrifluorideAKOS0062298092,3-di- fluoro-4-trifluoromethylanilinePS-114704-Amino-2,3-difluorobenzotrifluoride,98%DB-041753CS-0314292

Database identifiers

CAS: 123950-46-9
PubChem CID: 2735902
DTXSID: DTXSID70371012
EC Number: 681-219-4

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 0
Heavy atoms: 13
Formal charge: 0
Complexity: 180

Physicochemical properties

Boiling point: 188 · 188.0±40.0 °C(Predicted)
Density: 1.474 · 1.474±0.06 g/cm3(Predicted)
pka: 0.35 · 0.35±0.10(Predicted)
form: crystalline solid
color: Light brown to dark red/brown
CAS DataBase Reference: 123950 · 123950-46-9(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H315-H319-H332-H335
Precautionary statements: 280 · P280-P271
Hazard Codes: Xn
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
HS Code: 2921490090 · 2921490090

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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.