Basic information
- CAS
2561-17-3- Standard SMILES
C#Cc1cccc(F)c1- InChIKey
PTRUTZFCVFUTMW-UHFFFAOYSA-N- Molecular formula
- C8H5F
- Average molar mass
- 120.12 g/mol
- Monoisotopic mass
- 120.03752838
Names & identifiers
- Preferred name
- 1-Ethynyl-3-fluorobenzene
- IUPAC
- 1-ethynyl-3-fluorobenzene
- English name
- 3-Fluorophenylacetylene
- Molecular formula
- C8H5F
- Molecular weight
- 120.12
Names & synonyms
1-Ethynyl-3-fluorobenzeneRefChem:432702628-768-83-Fluorophenylacetylene2561-17-31-ethynyl-3-fluoro-benzeneBenzene, 1-ethynyl-3-fluoro-3'-fluorophenyl acetyleneMFCD030937983-fluorophenyl acetylene3-FC6H4CCHethynyl-3-fluorobenzene
Show more names
-3-fL3-fluorophenylene3-Fluorophenylacetylene98%3-Fluorophenylacetylene 98%1-Ethynyl-3-fluorobenzene 98%
3-fluorophenyl-acetylene(3-fluorophenyl)-ethyne1-ethynyl-3fluorobenzene3-ethynyl-1-fluorobenzeneSCHEMBL69131-ethynyl-3-fluorobenzene;SCHEMBL405775SCHEMBL1419567
Database identifiers
- CAS
2561-17-3- PubChem CID
- 520218
- DTXSID
DTXSID30334284- EC Number
- 628-768-8
- Nikkaji
- J2.119.271F
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 131
Physicochemical properties
- Boiling point
- 138 °C · 138 °C (lit.)
- Density
- 1.039 g/mL · 1.039 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.5170(lit.)
- Flash point
- 90 °F · 90 °F
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- clear liquid
- color
- Colorless to Light orange to Yellow
- InChI
- 1S/C8H5F/c1-2-7-4-3-5-8(9)6-7/h1,3-6H
- InChIKey
- PTRUTZFCVFUTMW-UHFFFAOYSA-N
- SMILES
- Fc1cccc(c1)C#C
- CAS DataBase Reference
- 2561 · 2561-17-3(CAS DataBase Reference)
- NIST Chemistry Reference
- 3 · 3-FC6H4CCH(2561-17-3)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 226 · H226-H315-H319-H335
- Precautionary statements
- 210 · P210-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 10 · 10-36/37/38
- Safety Statements
- 16 · 16-26-36
- RIDADR
- 1993 · UN 1993 3/PG 3
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- HazardClass
- 3 · 3
- PackingGroup
- Ⅲ
- HS Code
- 2903998090 · 2903998090
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 2 Flam · Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H226 (97.8%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (97.8%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 1993 3/PG 3
- hs_code
- 2903998090
- risk_code
- 10-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 16-26-36
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- Ⅲ
- target organs
- Respiratory system
- Hazard statements
- H226-H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
- Precautionary statements
- P210-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesIntermediates of Liquid Crystals
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
石家庄斯迪亚诺精细化工有限公司0311-89250318 13582355795 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
成都福尔斯特医药技术有限公司028-87078428 028-87074958 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
河南多贝化工有限公司0370-2785118 17550508557 · [email protected]
北京伊诺凯科技有限公司15652467323 · [email protected]
上海特伯化学科技有限公司+86-21-60341587 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
深圳康特腾科技有限公司86-0755-86635001 · [email protected]
越林试剂021-62960152 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
上海熙誉化学科技有限公司021-15000143735 15221126179 · [email protected]
上海洪创医药科技有限公司18151128828 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
郑州鸿晟医药科技有限公司0371-0371-13526885213 15637198702 · [email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
上海洽凡生化科技有限公司+86-021-61654350 · [email protected]
上海嵩爰化工科技有限公司010-1234567 18521000990 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Candia Pharmatech Co. , Ltd.+86-371-55216238
郑州科豫隆化工产品有限公司17319789407 17319789407 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
Related reactions
51 records
Compound notes
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