Basic information
- CAS
97308-62-8- Standard SMILES
C[Si](C)(C)C#Cc1ccccc1C#N- InChIKey
OSJJQDZTHSMKBV-UHFFFAOYSA-N- Molecular formula
- C12H13NSi
- Average molar mass
- 199.32 g/mol
- Monoisotopic mass
- 199.08172595
Names & identifiers
- Preferred name
- 2-[(Trimethylsilyl)ethynyl]benzonitrile
- IUPAC
- 2-(2-trimethylsilylethynyl)benzonitrile
- English name
- 2-[(Trimethylsilyl)ethynyl]benzonitrile
- Molecular formula
- C12H13NSi
- Molecular weight
- 199.32
Names & synonyms
97308-62-82-[(Trimethylsilyl)ethynyl]benzonitrile2-((Trimethylsilyl)ethynyl)benzonitrileDTXSID50546024RefChem:249541DTXCID00496808635-532-82-(2-trimethylsilylethynyl)benzonitrile2-[2-(trimethylsilyl)ethynyl]benzonitrileMFCD09260485SCHEMBL38926742-Trimethylsilylethynylbenzonitrile
Show more names
[(2-Cyanophenyl)ethynyl]trimethylsilane2-[(Trimethylsilanyl)ethynyl]benzonitrile2-[(Trimethylsilyl)ethynyl]benzonitrile98%2-[(Trimethylsilyl)ethynyl]benzonitrile 98%Benzonitrile, 2-[2-(trimethylsilyl)ethynyl]-1-(2-Cyanophenyl)-2-(trimethylsilyl)acetylene
OSJJQDZTHSMKBV-UHFFFAOYSA-NAKOS027384785(2-(trimethylsilyl)ethynyl]benzonitrilePS-11381CS-02273592-[(Trimethylsilyl)ethynyl]benzonitrile, 97%
Database identifiers
- CAS
97308-62-8- PubChem CID
- 13659727
- DTXSID
Properties
Computed structural properties
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- Density
- 0.942 g/mLat · 0.942g/mLat 25℃
- refractive index
- 20 · n20/D 1.537
- Flash point
- 110 °C · >110°C
- storage temp.
- Store at Room Tem.
- form
- fused solid
- color
- White to off white, crystalline
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26
- HS Code
- 2931900090 · 2931900090
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 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, 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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (97.5%)；Eye Irrit. 2 (97.5%)；STOT SE 3 (97.5%)
Safety data
- hs_code
- 2931900090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers10 total
上海药森生物科技有限公司18916117619 18916117619
Shanghai Enchem Industry Co., Ltd.15021317485
壮铭新材料科技江苏有限公司17312398916 051386936896 15216715905 · [email protected]
徐州卓运新材料科技有限公司0516-0516 13776763863 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
海蔚化学86-21-51086038 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
湖北偕丰医药科技有限公司2383948258 19172820304 · [email protected]
Related reactions
2 records
Compound notes
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