Basic information
- CAS
4177-16-6- Standard SMILES
C=Cc1cnccn1- InChIKey
KANZWHBYRHQMKZ-UHFFFAOYSA-N- Molecular formula
- C6H6N2
- Average molar mass
- 106.13 g/mol
- Monoisotopic mass
- 106.05309819
Names & identifiers
- Preferred name
- Vinylpyrazine
- IUPAC
- 2-ethenylpyrazine
- English name
- 2-VINYLPYRAZINE
- Molecular formula
- C6H6N2
- Molecular weight
- 106.13
Names & synonyms
2-Vinylpyrazine2-ethenylpyrazineVinylpyrazinePyrazine, ethenyl-ethenylpyrazineUNII-Y6TPK237O6PYRAZINE, 2-ETHENYL-Y6TPK237O6EINECS 224-045-2DTXSID80194592RefChem:194345DTXCID20117083
Show more names
2-VinylpyraztineVinylpyrazine,98%2-Vinylpyrazine,98%2-Vinylpyrazine Pyrazine, 2-ethenyl-
224-045-2KANZWHBYRHQMKZ-UHFFFAOYSA-N4177-16-6Pyrazine, vinyl-vinyl pyrazine2ethenylpyrazineMFCD000515912-Vinylpyrazine (stabilized with TBC)
Database identifiers
- CAS
4177-16-6- PubChem CID
- 77840
- DTXSID
DTXSID80194592- ChEMBL
CHEMBL4559624- UNII
- Y6TPK237O6
- EC Number
- 224-045-2
- Nikkaji
- J100.791B
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 80.6
Physicochemical properties
- Boiling point
- 75 · 75-77°C 30mm
- Density
- 1.041 g/mL · 1.041 g/mL at 25 °C
- refractive index
- 1.555 · 1.555-1.557
- Flash point
- 60 °C · 60°C
- storage temp.
- 2 · 2-8°C
- pka
- 0.56 · 0.56±0.10(Predicted)
- form
- liquid
- Odor
- nutty
- Odor Type
- nutty
- Water Solubility
- Slightly soluble in methanol, water.
- BRN
- 105566 · 105566
- InChI
- InChI=1S/C6H6N2/c1-2-6-5-7-3-4-8-6/h2-5H,1H2
- InChIKey
- KANZWHBYRHQMKZ-UHFFFAOYSA-N
- SMILES
- C1(C=C)=NC=CN=C1
- LogP
- 1.34 · 1.340 (est)
- CAS DataBase Reference
- 4177 · 4177-16-6(CAS DataBase Reference)
- FDA UNII
- 6 TPK237O6 · Y6TPK237O6
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
Danger
H226 (34.1%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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 135 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Pyrazine, ethenyl-
Pyrazine, ethenyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (34.1%)
Safety data
- wgk
- 3
- ridadr
- 1993
- hs_code
- 29339980
- risk_code
- 10-41-37/38-22
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05,GHS07
- hazard_code
- Xn
- safety_code
- 16-39-26
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- target organs
Chemistry & industry
Applications
UsesIt is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals.
Suppliers67 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [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]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
Related reactions
22 records
Compound notes
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