3-Pyridyl acetate
Basic information
- CAS
17747-43-2- Standard SMILES
CC(=O)Oc1cccnc1- InChIKey
QZDWODWEESGPLC-UHFFFAOYSA-N- Molecular formula
- C7H7NO2
- Average molar mass
- 137.14 g/mol
- Monoisotopic mass
- 137.04767847
Names & identifiers
- Preferred name
- 3-Pyridyl acetate
- IUPAC
- pyridin-3-yl acetate
- English name
- 3-Acetoxypyridine
- Molecular formula
- C7H7NO2
- Molecular weight
- 137.14
Names & synonyms
3-Pyridyl acetateAI3-524309E55385Q47EINECS 241-742-7NSC-273047DTXSID20170315NSC 273047RefChem:505241DTXCID7092806241-742-7pyridin-3-yl acetate3-Acetoxypyridine
Show more names
Acetoxypyridine3-Aceyoxy pyridine3-Pyridinyl acetate3-Pyridinol, acetate3-Acetoxypyridine>3-ACETOXYPYRIDINE 99%
17747-43-23-Pyridinol, 3-acetate3-Pyridinol, acetate (ester)MFCD000063773-Pyridinyl acetate #UNII-9E55385Q473-Hydroxypyridine monoacetateNSC273047
Database identifiers
- CAS
17747-43-2- PubChem CID
- 87289
- DTXSID
DTXSID20170315- UNII
- 9E55385Q47
- EC Number
- 241-742-7
- Nikkaji
- J32.644E
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 125
Physicochemical properties
- Boiling point
- 92 °C/9 · 92 °C/9 mmHg (lit.)
- Density
- 1.141 g/mL · 1.141 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.503(lit.)
- Flash point
- 213 °F · 213 °F
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- form
- clear liquid
- pka
- 3.76 · 3.76±0.10(Predicted)
- color
- Colorless to Light yellow to Light orange
- InChI
- 1S/C7H7NO2/c1-6(9)10-7-3-2-4-8-5-7/h2-5H,1H3
- InChIKey
- QZDWODWEESGPLC-UHFFFAOYSA-N
- SMILES
- CC(=O)Oc1cccnc1
- CAS DataBase Reference
- 17747 · 17747-43-2(CAS DataBase Reference)
- FDA UNII
- 9 E55385Q47 · 9E55385Q47
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
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)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- hs_code
- 2933399990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
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Related reactions
0 records
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Compound notes
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