1-Benzylindole

1-Benzyl-1H-indole · 1-BENZYLINDOLE · 1-(Phenylmethyl)-1H-indole · 1H-Indole, 1-(phenylmethyl)- · 3-[(2S)-4-cyclopropyl-2-[(2,4-dichlorophenyl)methoxy]-1,1,1-trifluorobut-3-yn-2-yl]-5-ethyl-6-methyl-1H-pyridin-2-one

https://huagongshe.com/en/chemical/96913

Identifiers & Physical Properties

CAS No.	3377-71-7
Molecular formula	C15H13N
Average molar mass	207.27 g/mol
Monoisotopic mass	207.10479942 g/mol
SMILES	c1ccc(Cn2ccc3ccccc32)cc1
InChIKey	NJZQOCCEDXRQJM-UHFFFAOYSA-N
PubChem CID	96913
ChEMBL	CHEMBL1775125
EC No.	803-406-3
DTXSID	DTXSID90187435

Chemical & Physical Properties

XLogP	4.3
Topological polar surface area	4.9
Hydrogen bond donors	0
Hydrogen bond acceptors	0
Rotatable bonds	2
Heavy atoms	16
Formal charge	0
Complexity	219
Melting point	45.8°C
Boiling point	336.3°C (rough estimate)
Density	1.0880 (rough estimate)
Refractive index	1.5720 (estimate)
Storage conditions	2-8°C
Physical state	Solid
Color	Off-white to yellow
CAS DataBase Reference	3377-71-7
FDA UNII	4Y89G35QC9
GHS pictogram	GHS07
Signal word	Warning
GHS hazard statements	H315-H319-H335
GHS precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Safety & Regulations

GHS classification	DangerH302 (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)Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (100%)
Signal word	Warning
GHS pictogram	GHS07
GHS hazard statements	H315-H319-H335
GHS precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a

HuagongsheHuagongshe Chemistry Print Report · For research reference only

HCID 96913Generated: October 27, 2026

1-Benzylindole

https://huagongshe.com/en/chemical/96913

Identifiers & Physical Properties

CAS No.	3377-71-7
Molecular formula	C15H13N
Average molar mass	207.27 g/mol
Monoisotopic mass	207.10479942 g/mol
SMILES	c1ccc(Cn2ccc3ccccc32)cc1
InChIKey	NJZQOCCEDXRQJM-UHFFFAOYSA-N
PubChem CID	96913
ChEMBL	CHEMBL1775125
EC No.	803-406-3
DTXSID	DTXSID90187435

Chemical & Physical Properties

XLogP	4.3
Topological polar surface area	4.9
Hydrogen bond donors	0
Hydrogen bond acceptors	0
Rotatable bonds	2
Heavy atoms	16
Formal charge	0
Complexity	219
Melting point	45.8°C
Boiling point	336.3°C (rough estimate)
Density	1.0880 (rough estimate)
Refractive index	1.5720 (estimate)
Storage conditions	2-8°C
Physical state	Solid
Color	Off-white to yellow
CAS DataBase Reference	3377-71-7
FDA UNII	4Y89G35QC9
GHS pictogram	GHS07
Signal word	Warning
GHS hazard statements	H315-H319-H335
GHS precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Safety & Regulations

GHS classification	DangerH302 (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)Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (100%)
Signal word	Warning
GHS pictogram	GHS07
GHS hazard statements	H315-H319-H335
GHS precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a