Basic information
- CAS
468067-87-0- Standard SMILES
N#Cc1ccc(=O)[nH]n1- InChIKey
ZZONMTHZRYNTMT-UHFFFAOYSA-N- Molecular formula
- C5H3N3O
- Average molar mass
- 121.1 g/mol
- Monoisotopic mass
- 121.02761173
Names & identifiers
- Preferred name
- 6-Oxo-1,6-dihydropyridazine-3-carbonitrile
- IUPAC
- 6-oxo-1H-pyridazine-3-carbonitrile
- English name
- 6-oxo-1,6-dihydropyridazine-3-carbonitrile
- Molecular formula
- C5H3N3O
- Molecular weight
- 121.1
Names & synonyms
6-oxo-1,6-dihydropyridazine-3-carbonitrile468067-87-0RefChem:544208817-602-16-oxo-1H-pyridazine-3-carbonitrile1,6-Dihydro-6-oxo-3-pyridazinecarbonitrileMFCD224915956-hydroxypyridazine-3-carbonitrileSCHEMBL3088585SCHEMBL21603306ZZONMTHZRYNTMT-UHFFFAOYSA-NAKOS022742894
Show more names
3-Pyridazinecarbonitrile, 1,6-dihydro-6-oxo-
AKOS026713752AT27099DA-05658PS-17875SY3063356-Oxo-1,6-dihydro-3-pyridazinecarbonitrileEN300-1225195F541931
Database identifiers
- CAS
468067-87-0- PubChem CID
- 22636611
- EC Number
- 817-602-1
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 65.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H332-H315-H312-H319-H335
- Precautionary statements
- 261 · P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): 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, P317, 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 3 reports by companies from 2 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 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H332-H315-H312-H319-H335
- Precautionary statements
- P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501
Chemistry & industry
Suppliers8 total
宁波振岳医药科技有限公司19817745290 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Aladdin Scientific[email protected]
南京药石科技股份有限公司025-86918202 4000255188 · [email protected]
北京博恩康达医药科技有限公司13261021908 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
Related reactions
3 records
Compound notes
Loading…