Ethyl 4-(phenylmethoxy)-1H-indole-2-carboxylate

HCID 119707

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Basic information

CAS: 27737-55-9
Standard SMILES: CCOC(=O)c1cc2c(OCc3ccccc3)cccc2[nH]1
InChIKey: HIQPISGKBJHKIN-UHFFFAOYSA-N
Molecular formula: C18H17NO3
Average molar mass: 295.3 g/mol
Monoisotopic mass: 295.1208434

Names & identifiers

Preferred name: Ethyl 4-(phenylmethoxy)-1H-indole-2-carboxylate
IUPAC: ethyl 4-phenylmethoxy-1H-indole-2-carboxylate
English name: 4-Benzyloxyindole-2-carboxylic acid ethyl ester
Molecular formula: C18H17NO3
Molecular weight: 295.33

Names & synonyms

27737-55-9EINECS 248-627-0Ethyl 4-(phenylmethoxy)-1H-indole-2-carboxylateDTXSID90182086RefChem:138744DTXCID00104577248-627-0ethyl 4-(benzyloxy)-1h-indole-2-carboxylate2-Carbethoxy-4-benzyloxyindole4-BENZYLOXYINDOLE-2-CARBOXYLIC ACID ethyl ESTERethyl 4-phenylmethoxy-1H-indole-2-carboxylateMFCD00016687

Show more names

4-BENZYLOXY-2-CARBETHOXYINDOLEETHYL 4-BENZYLOXY-2-INDOLECARBOXYLATE4-(Benzyloxy)-2-(ethoxycarbonyl)-1H-indole4-BENZYLOXY-1H-INDOLE-2-CARBOXYLIC ACID ETHYL ESTER

ethyl 4-benzyloxyindole-2-carboxylateEthyl 4-(benzyloxy)indole-2-carboxylateethyl 4-benzyloxy-1H-indole-2-carboxylate1H-Indole-2-carboxylic acid, 4-(phenylmethoxy)-, ethyl ester1H-Indole-2-carboxylicacid, 4-(phenylmethoxy)-, ethyl esterSCHEMBL700753SDZ-201106 Impurity 1Ethyl 4-benzyloxyindol-2-carboxylate

Database identifiers

CAS: 27737-55-9
PubChem CID: 119707
DTXSID: DTXSID90182086
EC Number: 248-627-0
Nikkaji: J250.580K

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 51.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 22
Formal charge: 0
Complexity: 367

Physicochemical properties

Melting point: 170 · 170-172 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
Boiling point: 481.4 · 481.4±30.0 °C(Predicted)
Density: 1.225 · 1.225±0.06 g/cm3(Predicted)
storage temp.: Store at Room Tem.
pka: 15.18 · 15.18±0.30(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Hazard Codes: Xi
Hazard Note: Irritant
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)

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

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Safety data

hs_code: 2933998090
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362