2-(4-(Difluoromethoxy)phenyl)ethan-1-amine

HCID 4962292

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Basic information

CAS: 771581-14-7
Standard SMILES: NCCc1ccc(OC(F)F)cc1
InChIKey: QVANIQIFGOVCFT-UHFFFAOYSA-N
Molecular formula: C9H11F2NO
Average molar mass: 187.19 g/mol
Monoisotopic mass: 187.08087041

Names & identifiers

Preferred name: 2-(4-(Difluoromethoxy)phenyl)ethan-1-amine
IUPAC: 2-[4-(difluoromethoxy)phenyl]ethanamine
English name: Benzeneethanamine, 4-(difluoromethoxy)- (9CI)
Molecular formula: C9H11F2NO
Molecular weight: 187.19

Names & synonyms

2-[4-(difluoromethoxy)phenyl]ethan-1-amine2-(4-(DIFLUOROMETHOXY)PHENYL)ETHAN-1-AMINERefChem:456462850-962-8771581-14-72-[4-(difluoromethoxy)phenyl]ethanamineMFCD06212915Benzeneethanamine,4-(difluoromethoxy)-4-(Difluoromethoxy)phenethylamine2-[4-(difluoromethoxy)phenyl]ethylamineSCHEMBL3640668DTXSID40407054

Show more names

4-(Difluoromethoxy)benzeneethanamineBenzeneethanamine, 4-(difluoromethoxy)-Benzeneethanamine, 4-(difluoromethoxy)- (9CI)

HMS1719G02SBB014865STK693371AKOS000200577AT28726NCGC00335022-01BS-13738SY152495

Database identifiers

CAS: 771581-14-7
PubChem CID: 4962292
DTXSID: DTXSID40407054
EC Number: 850-962-8

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 35.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 13
Formal charge: 0
Complexity: 136

Physicochemical properties

Boiling point: 244.3 · 244.3±35.0 °C(Predicted)
Density: 1.161 · 1.161±0.06 g/cm3(Predicted)
pka: 9.73 · 9.73±0.10(Predicted)
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 315 · H315-H318-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P310-P332+P313-P362-P403+P233-P405-P501

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

Signal word: Danger
Symbol(GHS): GHS05,GHS07
Hazard statements: H315-H318-H335
Precautionary statements: P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P310-P332+P313-P362-P403+P233-P405-P501