Basic information
- CAS
38940-61-3- Standard SMILES
COC(=O)c1cncc(C(C)=O)c1- InChIKey
BUKCTHLVWBOTIE-UHFFFAOYSA-N- Molecular formula
- C9H9NO3
- Average molar mass
- 179.17 g/mol
- Monoisotopic mass
- 179.05824315
Names & identifiers
- Preferred name
- Methyl 5-acetylpyridine-3-carboxylate
- IUPAC
- methyl 5-acetylpyridine-3-carboxylate
- English name
- 5-Acetylnicotinic acid methyl ester
- Molecular formula
- C9H9NO3
- Molecular weight
- 179.17
Names & synonyms
methyl 5-acetylpyridine-3-carboxylateRefChem:816802827-595-7Methyl 5-acetylnicotinate38940-61-33-Pyridinecarboxylic acid, 5-acetyl-, methyl esterMFCD119755935-acetyl-3-pyridinecarboxylic acid methyl esterMethyl5-acetylnicotinate5-Acetylnicotinic acid methyl esterMethyl 5-acetylnicotinate #SCHEMBL431955
Show more names
DTXSID90344389NBA94061methyl 5-acetyl-3-pyridinecarboxylateAKOS016006293SY222228DB-370920EN300-366066G14742
Database identifiers
- CAS
38940-61-3- PubChem CID
- 596459
- DTXSID
DTXSID90344389- EC Number
- 827-595-7
- Nikkaji
- J128.407J
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-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]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers14 total
北京华美互利生物化工010-56205725 · [email protected]
Suzhou Victorypharm Co.,Ltd.+86-13916956214 · [email protected]
苏州维塔力生物医药有限公司512-68242903 13916956214 · [email protected]
上海华思格医药科技有限公司13611612777 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD+8613676922317 · [email protected]
Suzhou Laing Biotechnology Co.,Ltd+86-13004516015 +86-18149392822 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Cochemical Co. Ltd.+86-029-86115547 +86-17791676824 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
7 records
Compound notes
Loading…