CAS 32774-29-1 5-Bromo-1H-indole-3-ethanol (HCID 122956)

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Basic information

CAS: 32774-29-1
Standard SMILES: OCCc1c[nH]c2ccc(Br)cc12
InChIKey: ZENXDUDCTZLSRP-UHFFFAOYSA-N
Molecular formula: C10H10BrNO
Average molar mass: 240.1 g/mol
Monoisotopic mass: 238.99458

Names & identifiers

Preferred name: 5-Bromo-1H-indole-3-ethanol
IUPAC: 2-(5-bromo-1H-indol-3-yl)ethanol
English name: 5-Bromotryptophol
Molecular formula: C10H10BrNO
Molecular weight: 240.1

Names & synonyms

32774-29-15-Bromo-1H-indole-3-ethanolEINECS 251-205-9DTXSID80186437RefChem:102084DTXCID90108928251-205-95-Bromotryptophol2-(5-bromo-1H-indol-3-yl)ethanol1h-indole-3-ethanol, 5-bromo-2-(5-bromo-1h-indol-3-yl)-1-ethanol2-(5-bromo-1H-indol-3-yl)ethan-1-ol

Show more names

5-bromochromolL806 5-Bromotryptophol2-(5-Bromo-3-indolyl)ethanol5-Bromo-3-(2-hydroxyethyl)indole

MFCD001301675-Bromoindole-3-ethanol5-bromo-3-hydroxyethylindoleAKOS005070093AC-42125-bromo-3-(2-hydroxyethyl)-1h-indoleSY0509715-bromo tryptop

Database identifiers

CAS: 32774-29-1
PubChem CID: 122956
DTXSID: DTXSID80186437
UNII: DEE5A22EXZ
EC Number: 251-205-9
Nikkaji: J319.429I

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 36 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 176

Physicochemical properties

Melting point: 92 · 92-94°C
Boiling point: 411.5 · 411.5±30.0 °C(Predicted)
Density: 1.618 · 1.618±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
form: powder to crystal
pka: 14.87 · 14.87±0.10(Predicted)
color: White to Orange to Green
CAS DataBase Reference: 32774 · 32774-29-1(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Hazard Codes: Xi
HazardClass: IRRITANT
HS Code: 2933998090 · 2933998090

Safety & regulation

Safety data

hs_code: 2933998090
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_class: IRRITANT
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313