Basic information
- CAS
181934-30-5- Standard SMILES
CC(C)[Si](C#CI1OC(=O)c2ccccc21)(C(C)C)C(C)C- InChIKey
NTHGHMCOPNSZIR-UHFFFAOYSA-N- Molecular formula
- C18H25IO2Si
- Average molar mass
- 428.4 g/mol
- Monoisotopic mass
- 428.06685
Names & identifiers
- Preferred name
- 1-((Triisopropylsilyl)ethynyl)-1,2-benziodoxol-3(1H)-one
- IUPAC
- 1-[2-tri(propan-2-yl)silylethynyl]-1λ3,2-benziodoxol-3-one
- English name
- 1-[(Triisopropylsilyl)ethynyl]-1,2-benziodoxol-3(1H)-one
- Molecular formula
- C18H25IO2Si
- Molecular weight
- 428.38
Names & synonyms
181934-30-51-[(Triisopropylsilyl)ethynyl]-1,2-benziodoxol-3(1H)-oneDTXSID104436011-((Triisopropylsilyl)ethynyl)-1,2-benziodoxol-3(1H)-oneRefChem:222198DTXCID10394422685-992-9TIPS-EBX1-((Tris(1-methylethyl)silyl)ethynyl)-1,2-benziodoxol-3(1H)-oneMFCD186325701,2-Benziodoxol-3(1H)-one, 1-[[tris(1-methylethyl)silyl]ethynyl]-1-[2-tri(propan-2-yl)silylethynyl]-1lambda3,2-benziodoxol-3-one
Show more names
1-[(Triisopropylsilyl)ethynyl]-1,2-benzoiodoxol-3(1H)-one1-[2-tri(propan-2-yl)silylethynyl]-1$l^{3},2-benziodoxol-3-one1-[(Triisopropylsilyl)ethynyl]-1,2-benziodoxol-3(1h)-one - [T31875]1-[(Triisopropylsilyl)ethynyl]-1,2-benziodoxol-3(1H)-one >=98.0% (AT)
SY055457CS-0213613T71965C18H25IO2SiSCHEMBL29664927SCHEMBL299310241-((triisopropylsilyl)ethynyl)-1l3-benzo[d][1,2]iodaoxol-3(1H)-one1-{[Tris-(1-methylethyl)silyl]ethynyl]}-1,2-benziodoxol-3(1H)-one
Properties
Computed structural properties
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 464
Physicochemical properties
- Melting point
- 170 °C · 170°C(dec.)(lit.)
- storage temp.
- 2 · 2-8°C, protect from light
- form
- solid
- color
- white
- InChI
- 1S/C18H25IO2Si/c1-13(2)22(14(3)4,15(5)6)12-11-19-17-10-8-7-9-16(17)18(20)21-19/h7-10,13-15H,1-6H3
- InChIKey
- NTHGHMCOPNSZIR-UHFFFAOYSA-N
- SMILES
- CC(C)[Si](C#C[I]1OC(=O)c2ccccc12)(C(C)C)C(C)C
- UNSPSC Code
- 12352005 · 12352005
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335-H413
- Precautionary statements
- 273 · P273-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38-53
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- tsca
- No
- hs_code
- 2934999090
- risk_code
- 36/37/38-53
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335-H413
- Hazard Classifications
- Aquatic Chronic 4Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P273-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesIntroduction of silylacetylenes
Suppliers50 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]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
HONG KONG IPURE BIOLOGY CO.,LIMITED86 18062405514 18062405514 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
Shanghai Scibiotron Pharmaceutical Co., Ltd+86-16621589600 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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