3-(2,3-Dihydro-1-benzofuran-5-yl)aniline

HCID 4131967

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Basic information

CAS: 893637-27-9
Standard SMILES: Nc1cccc(-c2ccc3c(c2)CCO3)c1
InChIKey: CYZANXWYHUKUKO-UHFFFAOYSA-N
Molecular formula: C14H13NO
Average molar mass: 211.26 g/mol
Monoisotopic mass: 211.09971404

Names & identifiers

Preferred name: 3-(2,3-Dihydro-1-benzofuran-5-yl)aniline
IUPAC: 3-(2,3-dihydro-1-benzofuran-5-yl)aniline
English name: 3-(2,3-dihydro-1-benzofuran-5-yl)aniline
Molecular formula: C14H13NO
Molecular weight: 211.26

Names & synonyms

3-(2,3-dihydro-1-benzofuran-5-yl)aniline893637-27-9SCHEMBL978675CYZANXWYHUKUKO-UHFFFAOYSA-NTKB63727AKOS004116905DS-0165123-(2,3-Dihydro-benzofuran-5-yl)-phenylamineEN300-125222Benzenamine, 3-(2,3-dihydro-5-benzofuranyl)-

Database identifiers

CAS: 893637-27-9
PubChem CID: 4131967
EC Number: 182-929-2

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 35.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 243

Physicochemical properties

Boiling point: 419.2 · 419.2±44.0 °C(Predicted)
Density: 1.192 · 1.192±0.06 g/cm3(Predicted)
pka: 4.3 · 4.30±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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.