1,3-Dimethylindole

HCID 70130

Notes Reactions

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Basic information

CAS: 875-30-9
Standard SMILES: Cc1cn(C)c2ccccc12
InChIKey: NAPPMSNSLWACIV-UHFFFAOYSA-N
Molecular formula: C10H11N
Average molar mass: 145.2 g/mol
Monoisotopic mass: 145.08914936

Names & identifiers

Preferred name: 1,3-Dimethylindole
IUPAC: 1,3-dimethylindole
English name: 1,3-dimethylindole
Molecular formula: C10H11N
Molecular weight: 145.2

Names & synonyms

1,3-Dimethylindole875-30-9Indole, 1,3-dimethyl-1H-Indole, 1,3-dimethyl-UNII-NT347J42P8NT347J42P8NSC 6231NSC-6231EINECS 212-872-1DTXSID80236360RefChem:72738Indole, 1,3-dimethyl-(8CI)

Show more names

Ramosetron Impurity 28

DTXCID801588511H-Indole, 1,3-dimethyl-(9CI)212-872-1NAPPMSNSLWACIV-UHFFFAOYSA-N1,3-Dimethyl-1H-indoleMFCD00030239N-Methylscatole1-Methylskatole

Database identifiers

CAS: 875-30-9
PubChem CID: 70130
DTXSID: DTXSID80236360
UNII: NT347J42P8
EC Number: 212-872-1
Nikkaji: J45.618G

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 4.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 144

Experimental & physicochemical properties

Kovats Retention Index1383；1359.1

Physicochemical properties

Melting point: 142 °C · 142°C
Boiling point: 258.55 °C · 258.55°C
Density: 1.0472 · 1.0472 (rough estimate)
refractive index: 1.5 · 1.5000 (estimate)
storage temp.: Sealed in dry,Room Temperature
Appearance: Brown to reddish brown Liquid
FDA UNII: 347 J42P8 · NT347J42P8
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H302
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Eye Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H302
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501