2-Amino-1-(3-fluorophenyl)ethan-1-ol

HCID 35800

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Basic information

CAS: 402-96-0
Standard SMILES: NCC(O)c1cccc(F)c1
InChIKey: KLIPUNKCUPNMHM-UHFFFAOYSA-N
Molecular formula: C8H10FNO
Average molar mass: 155.17 g/mol
Monoisotopic mass: 155.07464216

Names & identifiers

Preferred name: 2-Amino-1-(3-fluorophenyl)ethan-1-ol
IUPAC: 2-amino-1-(3-fluorophenyl)ethanol
English name: 2-amino-1-(3-fluorophenyl)ethanol
Molecular formula: C8H10FNO
Molecular weight: 155.17

Names & synonyms

2-amino-1-(3-fluorophenyl)ethan-1-olRefChem:463084835-047-32-amino-1-(3-fluorophenyl)ethanol402-96-0MFCD09041574alpha-(Aminomethyl)-3-fluorobenzenemethanolSCHEMBL937543CHEMBL4563769SCHEMBL30288493DTXSID20275374KLIPUNKCUPNMHM-UHFFFAOYSA-N

Show more names

AKOS BBV-0028034-(amino(phenyl)methyl)-2-fluorophenolBENZENEMETHANOL, α-(AMINOMETHYL)-3-FLUORO-

AAA40296AKOS000123610AKOS0160513952-(3-fluorophenyl)-2-hydroxyethanamine2-hydroxy-2-(3-fluorophenyl)ethanamine|A-(Aminomethyl)-3-fluorobenzenemethanol2-hydroxy-2-(3-fluorophenyl) ethanamineAS-48381

Database identifiers

CAS: 402-96-0
PubChem CID: 35800
DTXSID: DTXSID20275374
ChEMBL: CHEMBL4563769
EC Number: 835-047-3
Nikkaji: J532.124G

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 46.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 121

Physicochemical properties

Boiling point: 287.4 · 287.4±25.0 °C(Predicted)
Density: 1.208 · 1.208±0.06 g/cm3(Predicted)
storage temp.: Store at Room Tem.
pka: 11.77 · 11.77±0.35(Predicted)
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 335 · H335-H315-H302-H318
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Hazard Codes: Xn
Risk Statements: 22 · 22

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

risk_code: 22
Signal word: Danger
Symbol(GHS): GHS07,GHS05
hazard_code: Xn
Hazard statements: H335-H315-H302-H318
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310