Basic information
- CAS
87630-36-2- Standard SMILES
CC(C)[Si](C(C)C)(C(C)C)n1ccc(Br)c1- InChIKey
CNAUTMPRKBSDLH-UHFFFAOYSA-N- Molecular formula
- C13H24BrNSi
- Average molar mass
- 302.33 g/mol
- Monoisotopic mass
- 301.0861384
Names & identifiers
- Preferred name
- 3-Bromo-1-(triisopropylsilyl)pyrrole
- IUPAC
- (3-bromopyrrol-1-yl)-tri(propan-2-yl)silane
- English name
- 3-Bromo-1-(triisopropylsilyl)pyrrole
- Molecular formula
- C13H24BrNSi
- Molecular weight
- 302.33
Names & synonyms
3-Bromo-1-(triisopropylsilyl)pyrrole87630-36-2DTXSID90376882RefChem:277177DTXCID90327910678-039-33-Bromo-1-(triisopropylsilyl)-1H-pyrrole3-Bromo-1-(triisopropylsilyl)-1H -pyrrole3-bromo-1-[tris(propan-2-yl)silyl]-1H-pyrroleMFCD013211361H-Pyrrole, 3-bromo-1-[tris(1-methylethyl)silyl]-(3-bromopyrrol-1-yl)-tri(propan-2-yl)silane
Show more names
3-Bromo-1-[tris(1-methylethyl)silyl]-1H-pyrroleDK9413-BroMo-1-(triisopropylsi...3-Bromo-N-(triisopropylsilyl)pyrrole1-(TRIISOPROPYLSILYL)-3-BROMO-PYRROLE3-Bromo-1(triisopropysilyl)pyrrole
(3-Bromopyrrol-1-yl)-triisopropyl-silane3-bromo-N-triisopropylsilylpyrroleS031293-Bromo-1-triisopropylsilyl pyrroleSY031245EN300-109530C13H24BrNSiBromotriisopropylsilylpyrrole
Database identifiers
- CAS
87630-36-2- PubChem CID
- 2763302
Properties
Computed structural properties
- Topological polar surface area
- 4.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- Boiling point
- 100 °C · 100 °C(Press: 0.1 Torr)
- Density
- 1 · 1,16 g/cm3
- refractive index
- 20 · n20/D1.519
- Flash point
- 110 ℃ · >110℃
- storage temp.
- 2 · Inert atmosphere,2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Oil
- pka
- -5.67 · -5.67±0.70(Predicted)
- color
- Black
- InChI
- InChI=1S/C13H24BrNSi/c1-10(2)16(11(3)4,12(5)6)15-8-7-13(14)9-15/h7-12H,1-6H3
- InChIKey
- CNAUTMPRKBSDLH-UHFFFAOYSA-N
- SMILES
- N1([Si](C(C)C)(C(C)C)C(C)C)C=CC(Br)=C1
- CAS DataBase Reference
- 87630 · 87630-36-2(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (66.7%)
Safety data
- wgk
- 3
- hs_code
- 2933.99.9701
- risk_code
- 36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36/37/39-36/37
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P261-P280-P305+P351+P338-P264-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
Uses3-Bromo-1-(triisopropylsilyl)pyrrole is a pyrrole analogue mainly used in the field of organic synthesis. It can be used to prepare other heterocyclic compounds such as 1-(triisopropylsilyl)pyrrole and 3-Butadienyl-1-tosylpyrroles.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Related reactions
16 records
Compound notes
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