CAS 154080-04-3 2-Fluoro-4-isopropoxyaniline (HCID 3756384)

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Basic information

CAS: 154080-04-3
Standard SMILES: CC(C)Oc1ccc(N)c(F)c1
InChIKey: BUPRTGYJYJWLSK-UHFFFAOYSA-N
Molecular formula: C9H12FNO
Average molar mass: 169.2 g/mol
Monoisotopic mass: 169.09029222

Names & identifiers

Preferred name: 2-Fluoro-4-isopropoxyaniline
IUPAC: 2-fluoro-4-propan-2-yloxyaniline
English name: Benzenamine, 2-fluoro-4-(1-methylethoxy)-
Molecular formula: C9H12FNO
Molecular weight: 169.2

Names & synonyms

2-Fluoro-4-isopropoxyanilineRefChem:472365851-613-2154080-04-32-fluoro-4-(propan-2-yloxy)aniline2-fluoro-4-propan-2-yloxyanilineMFCD15209543Benzenamine, 2-fluoro-4-(1-methylethoxy)-4-Isopropoxy-2-fluoroanilineSCHEMBL6305238BUPRTGYJYJWLSK-UHFFFAOYSA-NDTXSID701283210

Show more names

EGA08004AKOS0109440042-Fluoro-4-(1-methylethoxy)benzenamine2-Fluoro-4-[(propan-2-yl)oxy]anilineBS-31061DB-134787EN300-59099G30113

Database identifiers

CAS: 154080-04-3
PubChem CID: 3756384
DTXSID: DTXSID701283210
EC Number: 851-613-2

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 35.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 140

Physicochemical properties

Boiling point: 233 · 233.0±20.0 °C(Predicted)
Density: 1.103 · 1.103±0.06 g/cm3(Predicted)
pka: 4.75 · 4.75±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
HS Code: 2922290090 · 2922290090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.