4-bromo-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-pyrrolo[2,3-b]pyridine

HCID 57477561CAS 941685-08-1

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Basic information

Standard SMILES: C[Si](C)(C)CCOCn1ccc2c(Br)ccnc21
InChIKey: DRANOGPOHXHUQP-UHFFFAOYSA-N
Molecular formula: C13H19BrN2OSi
Average molar mass: 327.29 g/mol

Names & identifiers

Preferred name: 4-bromo-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-pyrrolo[2,3-b]pyridine
IUPAC: 2-[(4-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
English name: 1H-Pyrrolo[2,3-b]pyridine, 4-broMo-1-[[2-(triMethylsilyl)ethoxy]Methyl]-
Molecular formula: C13H19BrN2OSi
Molecular weight: 327.29

Names & synonyms

941685-08-14-Bromo-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-pyrrolo[2,3-b]pyridine4-bromo-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrrolo[2,3-b]pyridine4-BROMO-1-([2-(TRIMETHYLSILYL)ETHOXY]METHYL)-1H-PYRROLO[2,3-B]PYRIDINE4-bromo-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrrolo(2,3-b)pyridine4-Bromo-1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-pyrrolo[2,3-b]pyridineRefChem:518861890-208-5MFCD155292172-[(4-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane1H-Pyrrolo[2,3-b]pyridine, 4-bromo-1-[[2-(trimethylsilyl)ethoxy]methyl]-SCHEMBL101528

Show more names

SCHEMBL29514152DRANOGPOHXHUQP-UHFFFAOYSA-NRMB68508SB13963AS-83403DA-21462SY200150CS-0004649

Database identifiers

CAS: 941685-08-1
PubChem CID: 57477561
EC Number: 890-208-5

Properties

Computed structural properties

Topological polar surface area: 27.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 18
Formal charge: 0
Complexity: 272

Physicochemical properties

Boiling point: 382 · 382.0±37.0 °C(Predicted)
Density: 1.27 · 1.27±0.1 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
pka: 4.3 · 4.30±0.30(Predicted)
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 302 · H302-H318-H335-H315
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (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 3 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS05
Hazard statements: H302-H318-H335-H315
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501