Imidazo(1,2-a)pyrimidine-2-carboxylic acid
Basic information
- CAS
64951-10-6- Standard SMILES
O=C(O)c1cn2cccnc2n1- InChIKey
GHGDMYPURSIGNB-UHFFFAOYSA-N- Molecular formula
- C7H5N3O2
- Average molar mass
- 163.13 g/mol
- Monoisotopic mass
- 163.03817641
Names & identifiers
- Preferred name
- Imidazo(1,2-a)pyrimidine-2-carboxylic acid
- IUPAC
- imidazo[1,2-a]pyrimidine-2-carboxylic acid
- English name
- Imidazo[1,2-a]pyrimidine-2-carboxylic acid
- Molecular formula
- C7H5N3O2
- Molecular weight
- 163.13
Names & synonyms
Imidazo[1,2-a]pyrimidine-2-carboxylic acid64951-10-6Imidazo(1,2-a)pyrimidine-2-carboxylic acidDTXSID00315686RefChem:348605DTXCID80266809831-557-5MFCD03419484NSC296231SCHEMBL570407AKOS000538980NSC 296231
Show more names
CHEMBRDG-BB 4014386TIMTEC-BB SBB0104392-Carboxyimidazo[1,2-a]pyrimidineImidazo[1,2-a]pyrimidine-2-carboxylicacid97%Imidazo[1,2-a]pyrimidine-2-carboxylic acid (9CI, ACI)imidazo[1,2-a]pyrimidine-2-carboxylic acid(SALTDATA: FREE)IMIDAZO[1,2-A]PYRIMIDINE-2-CARBOXYLIC ACID ISO 9001：2015 REACH
NSC-296231AB14500CS-0019267EN300-42252W-6039310W-0876Z367448406Imidazo[1,2-a]pyrimidine-2-carboxylic acid, AldrichCPR
Database identifiers
- CAS
64951-10-6- PubChem CID
- 326100
- DTXSID
DTXSID00315686- EC Number
- 831-557-5
- Nikkaji
- J2.803.899B
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 197
Physicochemical properties
- Density
- 1.58 · 1.58±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- solid
- pka
- -2.7 · -2.70±0.41(Predicted)
- Appearance
- Off-white to light brown Solid
- InChI
- 1S/C7H5N3O2/c11-6(12)5-4-10-3-1-2-8-7(10)9-5/h1-4H,(H,11,12)
- InChIKey
- GHGDMYPURSIGNB-UHFFFAOYSA-N
- SMILES
- O=C(O)C1=CN2C=CC=NC2=N1
- UNSPSC Code
- 12352106 · 12352106
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317
- Precautionary statements
- 280 · P280
- Hazard Codes
- Xi,Xn
- Risk Statements
- 22 · 22
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
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, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+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 2 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
- wgk
- 3
- hs_code
- 2933599590
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H317
- Hazard Classifications
- Acute Tox. 4 OralSkin Sens. 1
- Precautionary statements
- P280
Suppliers
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Related reactions
4 records
Compound notes
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