4-Chloro-6-ethenyl-5-fluoropyrimidine
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Basic information
- CAS
1403893-61-7- Standard SMILES
C=Cc1ncnc(Cl)c1F- InChIKey
OOPSUAVKHZVJLT-UHFFFAOYSA-N- Molecular formula
- C6H4ClFN2
- Average molar mass
- 158.56 g/mol
- Monoisotopic mass
- 158.004704
Names & identifiers
- Preferred name
- 4-Chloro-6-ethenyl-5-fluoropyrimidine
- IUPAC
- 4-chloro-6-ethenyl-5-fluoropyrimidine
- English name
- 4-chloro-5-fluoro-6-vinylpyriMidine
- Molecular formula
- C6H4ClFN2
- Molecular weight
- 158.56
Names & synonyms
4-Chloro-5-fluoro-6-vinylpyrimidine1403893-61-74-CHLORO-6-ETHENYL-5-FLUOROPYRIMIDINEDTXSID101287664RefChem:521588DTXCID501718312940-222-3Pyrimidine, 4-chloro-6-ethenyl-5-fluoro-Voriconazole Impurity 34S7JHN785KQSCHEMBL15649019WLZ3568
Show more names
Voriconazole Impurity 32Azilsartan medoxomil impurity313(2S,3R)-2-(2,4-difluorophenyl)-3-(5-fluoro-6-(1-(5-fluoropyrimidin-4-yl)ethyl)pyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
OOPSUAVKHZVJLT-UHFFFAOYSA-N4-Chloro-5-fluoro-6-vinyl pyrimidineSB56075DS-001389
Database identifiers
- CAS
1403893-61-7- PubChem CID
- 73672883
- DTXSID
DTXSID101287664- UNII
- S7JHN785KQ
- EC Number
- 940-222-3
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 131
Physicochemical properties
- Boiling point
- 233.9 · 233.9±40.0 °C(Predicted)
- Density
- 1.343 · 1.343±0.06 g/cm3(Predicted)
- vapor pressure
- 1.04 · 1.04-1.733hPa at 20-25℃
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- -1.39 · -1.39±0.26(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 317 · H317-H300-H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
- REACH Registrations
- Active
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
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P260, P261, P264, P270, P272, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 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
Regulatory InformationStatus: Active Update: 03-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29376
Hazard Classes and CategoriesAcute Tox. 2 (100%)；Skin Corr. 1B (100%)；Skin Sens. 1 (100%)
Regulatory information
Regulatory InformationStatus: Active Update: 03-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29376
Safety data
- Signal word
- Danger
Related reactions
4 records
Compound notes
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