5-Methylindoline

HCID 14023679CAS 65826-95-1

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1ccc2c(c1)CCN2
InChIKey: JFUAVVHABJWSFX-UHFFFAOYSA-N
Molecular formula: C9H11N
Average molar mass: 133.19 g/mol
Monoisotopic mass: 133.08914935

Names & identifiers

Preferred name: 5-Methylindoline
IUPAC: 5-methyl-2,3-dihydro-1H-indole
English name: 5-Methylindoline
Molecular formula: C9H11N
Molecular weight: 133.19

Names & synonyms

5-MethylindolineRefChem:537287672-683-965826-95-15-methyl-2,3-dihydro-1H-indole1H-Indole, 2,3-dihydro-5-methyl-MFCD030936362,3-Dihydro-5-methyl-1H-indole5-Methylindoline, AldrichCPRDTXSID30554460CS-W013389SB38166

Show more names

5-Methylindoline>2,3-Dihydro-5-methyl-1H-indole6-ethynyl-2,3-dihydro-1H-indole5-Methyl-2,3-dihydro-1H-indole≥ 98% (HPLC)5-Methylindoline 5-methyl-2,3-dihydro-1H-indole in stock Factory

SY052833M1372Z2355390625-methyl-indoline1H-Indole, 2,3-diFT-0649071SCHEMBL12461SCHEMBL650280

Database identifiers

CAS: 65826-95-1
PubChem CID: 14023679
DTXSID: DTXSID30554460
EC Number: 672-683-9
Nikkaji: J1.677.519C

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 122

Physicochemical properties

Boiling point: 241 ℃ · 241℃
Density: 1 · 1,03 g/cm3
refractive index: 1.575 · 1.5750-1.5790
Flash point: 104 ℃ · 104℃
storage temp.: 2 · 2-8°C(protect from light)
form: clear liquid
pka: 5.85 · 5.85±0.20(Predicted)
color: Colorless to Yellow to Green
InChI: 1S/C9H11N/c1-7-2-3-9-8(6-7)4-5-10-9/h2-3,6,10H,4-5H2,1H3
InChIKey: JFUAVVHABJWSFX-UHFFFAOYSA-N
SMILES: Cc1ccc2NCCc2c1
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Hazard Codes: T,N
Risk Statements: 36 · 36/37/38-51/53-25
Safety Statements: 26 · 26-36/37/39-61-45
WGK Germany: 3 · WGK 3
HS Code: 2933998090 · 2933998090
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 3 OralAquatic · Acute Tox. 3 OralAquatic Chronic 2

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (97.5%)

Safety data

wgk: WGK 3
hs_code: 2933998090
risk_code: 36/37/38-51/53-25
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: T,N
safety_code: 26-36/37/39-61-45
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard statements: H315-H319
Hazard Classifications: Acute Tox. 3 OralAquatic Chronic 2
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313