Basic information
- CAS
122-05-4- Standard SMILES
O=C(O)c1cnc(C(=O)O)cn1- InChIKey
GMIOYJQLNFNGPR-UHFFFAOYSA-N- Molecular formula
- C6H4N2O4
- Average molar mass
- 168.11 g/mol
- Monoisotopic mass
- 168.01710661
Names & identifiers
- Preferred name
- Pyrazine-2,5-dicarboxylic acid
- IUPAC
- pyrazine-2,5-dicarboxylic acid
- English name
- Pyrazine-2,5-dicarboxylic acid
- Molecular formula
- C6H4N2O4
- Molecular weight
- 168.11
Names & synonyms
Pyrazine-2,5-dicarboxylic acid2,5-Pyrazinedicarboxylic acidDTXSID30292178RefChem:870444DTXCID10243320850-651-7122-05-4MFCD01630902Glipizide Impurity 36SCHEMBL70035NSC80650NSC-80650
Show more names
5-DICARBOXYLIC ACIDAKOS 90686Acimox impurity 12,5-PYRAZINE-DIACIDAcipimox Impurity 12,5-PyrazinedicarboxyLBifeprunox Impurity 382,5-PYRAZINEDICARBOXYLIC
AKOS000279924PB32256SB10620EN300-150129205692-63-3Z1201621139Glipizide Impurity 18Pyrazine-2,5-dicarb
Database identifiers
- CAS
122-05-4- PubChem CID
- 255280
- DTXSID
DTXSID30292178- EC Number
- 850-651-7
- Nikkaji
- J293.842A
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Melting point
- 255 · 255-260℃ lit.
- Boiling point
- 466.5 · 466.5±45.0 °C(Predicted)
- Density
- 1.665 · 1.665±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 2.2 · 2.20±0.10(Predicted)
- form
- Solid
- Appearance
- Light yellow to brown Solid
- Water Solubility
- Slightly soluble in water.
- InChI
- InChI=1S/C6H4N2O4/c9-5(10)3-1-7-4(2-8-3)6(11)12/h1-2H,(H,9,10)(H,11,12)
- InChIKey
- GMIOYJQLNFNGPR-UHFFFAOYSA-N
- SMILES
- C1(C(O)=O)=NC=C(C(O)=O)N=C1
- CAS DataBase Reference
- 122 · 122-05-4(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
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
H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 4 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 CategoriesAcute Tox. 4 (25%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (75%)
Safety data
- hs_code
- 2933998090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesIt is an pyrazine used for proteomics research.
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]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
南部县诚信科技有限公司0838-5675166 15883665058 · [email protected]
Related reactions
5 records
Compound notes
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