Basic information
- CAS
79887-14-2- Standard SMILES
C#Cc1ccc(OCC)cc1- InChIKey
FRGNOZUOTHMJSC-UHFFFAOYSA-N- Molecular formula
- C10H10O
- Average molar mass
- 146.19 g/mol
- Monoisotopic mass
- 146.07316494
Names & identifiers
- Preferred name
- 1-Ethoxy-4-ethynylbenzene
- IUPAC
- 1-ethoxy-4-ethynylbenzene
- English name
- 4-Ethoxyphenylacetylene
- Molecular formula
- C10H10O
- Molecular weight
- 146.19
Names & synonyms
1-ethoxy-4-ethynylbenzeneRefChem:432238641-151-84-ethoxyphenylacetylene79887-14-21-ethoxy-4-ethynyl-benzeneMFCD001738801-ethoxy-4-eth-1-ynylbenzene4'-Ethoxyphenyl acetylenep-ethoxyethynylbenzene4-ethoxy-1-ethynyl-benzeneSCHEMBL163203
Show more names
4-EthoxyethynylbenzeneDIBROMO PHENYL ACETALYENCE4-Ethoxyphenylacetylene 98%
DTXSID90379398GS-3332E1029EN300-102634Z10803854904-EthynylphenetoleBenzene, 1-ethoxy-4-ethynyl-1-ethynyl-4-ethoxybenzene
Database identifiers
- CAS
79887-14-2- PubChem CID
- 2775124
- DTXSID
DTXSID90379398- EC Number
- 641-151-8
- Nikkaji
- J911.089E
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 146
Physicochemical properties
- Boiling point
- 214.8 · 214.8±23.0 °C(Predicted)
- Density
- 0.99 · 0.99±0.1 g/cm3(Predicted)
- refractive index
- 1.552 to · 1.5520 to 1.5560
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- clear liquid
- color
- Light orange to Yellow to Green
- CAS DataBase Reference
- 79887 · 79887-14-2(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- HS Code
- 2916340000 · 2916340000
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (92.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (92.7%)
Safety data
- hs_code
- 2916340000
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
UsesIntermediates of Liquid Crystals
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
石家庄华锐科技有限公司0311-85106800 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司
Related reactions
15 records
Compound notes
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