Basic information
- CAS
36023-64-0- Standard SMILES
N#Cc1[nH]c(=O)c(=O)[nH]c1C#N- InChIKey
OTVDGBINMCDFTF-UHFFFAOYSA-N- Molecular formula
- C6H2N4O2
- Average molar mass
- 162.11 g/mol
- Monoisotopic mass
- 162.01777532
Names & identifiers
- Preferred name
- 1,4,5,6-Tetrahydro-5,6-dioxo-2,3-pyrazinedicarbonitrile
- IUPAC
- 5,6-dioxo-1,4-dihydropyrazine-2,3-dicarbonitrile
- English name
- 1,4,5,6-Tetrahydro-5,6-dioxo-2,3-pyrazinedicarbonitrile
- Molecular formula
- C6H2N4O2
- Molecular weight
- 162.11
Names & synonyms
36023-64-01,4,5,6-Tetrahydro-5,6-dioxo-2,3-pyrazinedicarbonitrileTHD-PCNRefChem:415780678-628-55,6-Dioxo-1,4,5,6-tetrahydropyrazine-2,3-dicarbonitrile5,6-dioxo-1,4-dihydropyrazine-2,3-dicarbonitrileMFCD001916902,3-Dicyano-1,4,5,6-tetrahydropyrazine-5,6-dioneC6H2N4O2SCHEMBL10933269AKOS002347849
Show more names
Tetrahydrodioxopyrazinedicarbonitrile5,6-dihydroxypyrazine-2,3-dicarbonitrile5,6-Dioxo-2,3-dicyano-1,4,5,6-tetrahydropyrazine2,3-Pyrazinedicarbonitrile, 1,4,5,6-tetrahydro-5,6-dioxo-1,4,5,6-TETRAHYDRO-5,6-DIOXO-2,3-PYRAZINEDICARBONITRILE 98+%1,4,5,6-TETRAHYDRO-5,6-DIOXO-2,3-PYRAZINEDICARBONITRILE ISO 9001：2015 REACH
AS-69887SY054579DB-030555CS-0141843D95334F6219625-hydroxy-6-oxo-1,6-dihydropyrazine-2,3-dicarbonitrile5,6-Dioxo-1,4,5,6-tetrahydro-2,3-pyrazinedicarbonitrile
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 350
Physicochemical properties
- Density
- 1.62 · 1.62±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Water Solubility
- almost transparency in hot Water
- form
- powder to crystal
- pka
- 3.56 · 3.56±0.60(Predicted)
- color
- White to Orange to Green
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 331 · H331-H311-H301
- Precautionary statements
- 261 · P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501
- HS Code
- 2933.79 · 2933.79.8500
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]
P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)；Acute Tox. 3 (100%)；Acute Tox. 3 (100%)
Safety data
- hs_code
- 2933.79.8500
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H331-H311-H301
- Precautionary statements
- P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501
Chemistry & industry
Suppliers33 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
陕西格列弗生物科技研究有限责任公司13892423764 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
环生美森医药技术（山东）有限公司0531-88762217 18301471076 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [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]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
济南千叶医药技术有限公司0531-81313138 13066006660 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
Related reactions
1 records
Compound notes
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