Basic information
- CAS
10072-09-0- Standard SMILES
CC(=O)OCc1cccnc1- InChIKey
FPXVLCLVAIUGPW-UHFFFAOYSA-N- Molecular formula
- C8H9NO2
- Average molar mass
- 151.16 g/mol
- Monoisotopic mass
- 151.06332853
Names & identifiers
- Preferred name
- (Pyridin-3-yl)methyl acetate
- IUPAC
- pyridin-3-ylmethyl acetate
- English name
- Acetic acid pyridin-3-ylmethyl ester
- Molecular formula
- C8H9NO2
- Molecular weight
- 151.16256
Names & synonyms
(Pyridin-3-yl)methyl acetateRefChem:406911600-124-0pyridin-3-ylmethyl acetate10072-09-0Acetic acid pyridin-3-ylmethyl ester3-Pyridinemethanol, 3-acetateNSC 165241NSC-1652413-acetoxymethylpyridine3-Pyridylmethyl acetateTMB6LBH4W9
Show more names
3-(acetoxymethyl)pyridine
3-Pyridinemethanol, acetate3-Pyridinylmethyl acetate #SCHEMBL2519199SCHEMBL7666463DTXSID60304278FPXVLCLVAIUGPW-UHFFFAOYSA-NKAA07209NSC165241
Database identifiers
- CAS
10072-09-0- PubChem CID
- 295656
- DTXSID
DTXSID60304278- UNII
- TMB6LBH4W9
- EC Number
- 600-124-0
- Nikkaji
- J736.444J
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Boiling point
- 119 °C · 119 °C(Press: 12 Torr)
- Density
- 1.115 · 1.115±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.92 · 4.92±0.11(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H302-H319-H312-H332-H315
- Precautionary statements
- 261 · P261-P271-P304+P340-P312-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362
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, P317, 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
- H335-H302-H319-H312-H332-H315
- Precautionary statements
- P261-P271-P304+P340-P312-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers6 total
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
武汉凯美克化学科技有限公司027-87342388 18086026008 · [email protected]
杭州摩库生物医药科技有限公司400-711-5280 86-571-81025280 · [email protected]
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
上海锐谱医药科技有限公司15895968936 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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