Basic information
- CAS
445491-09-8- Standard SMILES
C[Si](C)(C)C#Cc1cc(F)cc(F)c1- InChIKey
SJTKBXIQLYSMRR-UHFFFAOYSA-N- Molecular formula
- C11H12F2Si
- Average molar mass
- 210.29 g/mol
- Monoisotopic mass
- 210.06763324
Names & identifiers
- Preferred name
- (3,5-Difluorophenylethynyl)trimethylsilane
- IUPAC
- 2-(3,5-difluorophenyl)ethynyl-trimethylsilane
- English name
- (3 5-Difluorophenylethynyl)trimethylsil&
- Molecular formula
- C11H12F2Si
- Molecular weight
- 210.3
Names & synonyms
445491-09-8(3,5-Difluorophenylethynyl)trimethylsilaneDTXSID30403565RefChem:207411DTXCID00354419((3,5-Difluorophenyl)ethynyl)trimethylsilane2-(3,5-difluorophenyl)ethynyl-trimethylsilaneMFCD040399812-(3,5-difluorophenyl)ethynyl-trimethyl-silaneSCHEMBL852757SCHEMBL5761664AKOS015913148
Show more names
(3 5-Difluorophenylethynyl)trimethylsil&(3,5-Difluorophenyl)(trimethylsilyl)acetylene(2-(3,5-difluorophenyl)ethynyl)trimethylsilaneBenzene, 1,3-difluoro-5-[2-(trimethylsilyl)ethynyl]-
[(3,5-Difluorophenyl)ethynyl]tri(methyl)silaneG89996(3,5-Difluorophenylethynyl)trimethylsilane, 98%1,3-Difluoro-5-[2-(Trimethylsilyl)Ethynyl]Benzene
Database identifiers
- CAS
445491-09-8- PubChem CID
- 4464151
- DTXSID
DTXSID30403565
Properties
Computed structural properties
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 245
Physicochemical properties
- Boiling point
- 200 · 200-201 °C (lit.)
- Density
- 0.995 g/mL · 0.995 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.4920(lit.)
- Flash point
- 167 °F · 167 °F
- InChI
- 1S/C11H12F2Si/c1-14(2,3)5-4-9-6-10(12)8-11(13)7-9/h6-8H,1-3H3
- InChIKey
- SJTKBXIQLYSMRR-UHFFFAOYSA-N
- SMILES
- C[Si](C)(C)C#Cc1cc(F)cc(F)c1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- PPE
- Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
- WGK Germany
- 3 · 3
- Storage Class
- 10 · 10 - Combustible liquids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
- wgk
- 3
- Storage Class
- 10 - Combustible liquids
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers11 total
上海药森生物科技有限公司18916117619 18916117619 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
嘉兴市浙嘉生物科技有限公司0573-85609002 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
山西诺诚生物科技有限公司17835231871 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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