Basic information
- CAS
1078712-00-1- Standard SMILES
O=C(O)c1ccccc1-c1cncnc1- InChIKey
OLFSCYMDVCTSRL-UHFFFAOYSA-N- Molecular formula
- C11H8N2O2
- Average molar mass
- 200.19 g/mol
- Monoisotopic mass
- 200.0585775
Names & identifiers
- Preferred name
- 2-(Pyrimidin-5-yl)benzoic acid
- IUPAC
- 2-pyrimidin-5-ylbenzoic acid
- English name
- 2-(Pyrimidin-5-yl)benzoic acid
- Molecular formula
- C11H8N2O2
- Molecular weight
- 200.19
Names & synonyms
2-(pyrimidin-5-yl)benzoic acid1078712-00-1RefChem:462176859-713-82-pyrimidin-5-ylbenzoic acid2-(pyrimidin-5-yl)benzoicacidSCHEMBL13734618DTB71200AKOS008152521SB58984CS-0217771EN300-84315
Show more names
Benzoic acid, 2-(5-pyrimidinyl)-
Z992239948
Database identifiers
- CAS
1078712-00-1- PubChem CID
- 53626257
- EC Number
- 859-713-8
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 63.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Boiling point
- 385.8 · 385.8±25.0 °C(Predicted)
- Density
- 1.302 · 1.302±0.06 g/cm3(Predicted)
- pka
- 3.53 · 3.53±0.36(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers6 total
苏州合森医药科技有限公司17621975170; 17621975170 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
河南普赛化工产品有限公司0371-60919097 15378766539 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
郑州浩创新材料有限公司19139721821; 19139721821 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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