5-Bromo-1-methyl-1H-indole

HCID 285757

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Basic information

CAS: 10075-52-2
Standard SMILES: Cn1ccc2cc(Br)ccc21
InChIKey: SBOITLSQLQGSLO-UHFFFAOYSA-N
Molecular formula: C9H8BrN
Average molar mass: 210.07 g/mol
Monoisotopic mass: 208.98401136

Names & identifiers

Preferred name: 5-Bromo-1-methyl-1H-indole
IUPAC: 5-bromo-1-methylindole
English name: 5-Bromo-1-methyl-1H-indole
Molecular formula: C9H8BrN
Molecular weight: 210.07

Names & synonyms

5-bromo-1-methyl-1h-indole10075-52-2DTXSID20301420RefChem:102078DTXCID70252554687-025-65-bromo-1-methylindole5-Bromo-1-methyl-indole1H-Indole, 5-bromo-1-methyl-MFCD001598571H-Indole,5-bromo-1-methyl-NSC 143238

Show more names

CHEMBRDG-BB 90720495-Bromo-1-methy-1H-indole5-Bromo-1-methylindole 97%5-bromo-1-methyl-1H-indole(SALTDATA: FREE)

5-Bromo-1-(methyl-d3)indolen-methyl-5-bromoindole1-methyl-5-bromoindoleNSC1432385-bromo-N-methylindoleSCHEMBL856111SCHEMBL4666013SCHEMBL7822801

Database identifiers

CAS: 10075-52-2
PubChem CID: 285757
DTXSID: DTXSID20301420
EC Number: 687-025-6
Nikkaji: J1.516.610J

Properties

Computed structural properties

XLogP: 3.4
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: 148

Physicochemical properties

Melting point: 43 °C · 43 °C
Boiling point: 300.9 · 300.9±15.0 °C(Predicted)
Density: 1.47 · 1.47±0.1 g/cm3(Predicted)
Flash point: 110 ℃ · >110℃
storage temp.: Sealed in dry,Room Temperature
form: solid
Appearance: Light yellow to yellow Solid
InChI: InChI=1S/C9H8BrN/c1-11-5-4-7-6-8(10)2-3-9(7)11/h2-6H,1H3
InChIKey: SBOITLSQLQGSLO-UHFFFAOYSA-N
SMILES: N1(C)C2=C(C=C(Br)C=C2)C=C1
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H315-H318-H335
Precautionary statements: 280 · P280-P301+P312+P330-P302+P352-P305+P351+P338+P310
target organs: Respiratory system
Hazard Codes: Xi,Xn
Risk Statements: 22 · 22-36/37/38-41-37/38
Safety Statements: 22 · 22-26-36/37/39-39
WGK Germany: 3 · 3
Hazard Note: Irritant
HS Code: 2933998090 · 2933998090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (97.6%): 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.