Basic information
- CAS
116882-98-5- Standard SMILES
O=C(O)COCc1ccncc1- InChIKey
NHAFAQKGBMCEPF-UHFFFAOYSA-N- Molecular formula
- C8H9NO3
- Average molar mass
- 167.16 g/mol
- Monoisotopic mass
- 167.05824315
Names & identifiers
- Preferred name
- 2-(Pyridin-4-ylmethoxy)acetic acid
- IUPAC
- 2-(pyridin-4-ylmethoxy)acetic acid
- English name
- 2-(Pyridin-4-ylmethoxy)acetic acid
- Molecular formula
- C8H9NO3
- Molecular weight
- 167.16
Names & synonyms
116882-98-52-(PYRIDIN-4-YLMETHOXY)ACETIC ACIDRefChem:462153888-615-8Acetic acid, 2-(4-pyridinylmethoxy)-2-(4-pyridylmethoxy)acetic acidAcetic acid, (4-pyridinylmethoxy)-SCHEMBL360187REA88298AKOS0175324682-[(pyridin-4-yl)methoxy]acetic acid2-(PYRIDIN-4-YLMETHOXY)ACETICACID
Show more names
DB-329491EN300-213354Z1262561205
Database identifiers
- CAS
116882-98-5- PubChem CID
- 14799550
- EC Number
- 888-615-8
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 143
Physicochemical properties
- Boiling point
- 368.7 · 368.7±22.0 °C(Predicted)
- Density
- 1.257 · 1.257±0.06 g/cm3(Predicted)
- pka
- 3.15 · 3.15±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers5 total
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
河南奥创化工有限公司+86-0371-63689365 +8618638391208 · [email protected]
常州优瑞医药科技有限公司18168818882 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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