Basic information
- CAS
1234616-21-7- Standard SMILES
COC(=O)c1ccc2nccn2n1- InChIKey
MMNCMZRUTZBGOH-UHFFFAOYSA-N- Molecular formula
- C8H7N3O2
- Average molar mass
- 177.16 g/mol
- Monoisotopic mass
- 177.05382646
Names & identifiers
- Preferred name
- Methyl imidazo[1,2-b]pyridazine-6-carboxylate
- IUPAC
- methyl imidazo[1,2-b]pyridazine-6-carboxylate
- English name
- Methyl iMidazo[1,2-b]pyridazine-6-carboxylate
- Molecular formula
- C8H7N3O2
- Molecular weight
- 177.16
Names & synonyms
METHYL IMIDAZO[1,2-B]PYRIDAZINE-6-CARBOXYLATEImidazo[1,2-b]pyridazine-6-carboxylic acid, methyl estermethyl imidazo(1,2-b)pyridazine-6-carboxylateImidazo(1,2-b)pyridazine-6-carboxylic acid, methyl esterRefChem:817792889-877-61234616-21-7MFCD16039336SCHEMBL297434IMIDAZO[1,2-B]PYRIDAZINE-6-CARBOXYLIC ACID METHYL ESTERDTXSID501236451AMY34209
Show more names
AKOS022177344PB30118SB10535AS-42884SY098070DB-062160CS-0048889EN300-6733861
Database identifiers
- CAS
1234616-21-7- PubChem CID
- 59580147
- DTXSID
DTXSID501236451- EC Number
- 889-877-6
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 3.68 · 3.68±0.30(Predicted)
- Appearance
- Light brown to brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933998090 · 2933998090
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]
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 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers33 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
武汉艾瑞尔化学科技有限公司18986259541 18986259541 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
Related reactions
7 records
Compound notes
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