Basic information
- CAS
91940-86-2- Standard SMILES
CCOc1cc(C(=O)O)ccn1- InChIKey
ZGGJYLYCHXPTRY-UHFFFAOYSA-N- Molecular formula
- C8H9NO3
- Average molar mass
- 167.16 g/mol
- Monoisotopic mass
- 167.05824315
Names & identifiers
- Preferred name
- 2-Ethoxyisonicotinic acid
- IUPAC
- 2-ethoxypyridine-4-carboxylic acid
- English name
- 2-Ethoxy-4-pyridinecarboxylic acid
- Molecular formula
- C8H9NO3
- Molecular weight
- 167.16
Names & synonyms
2-Ethoxyisonicotinic acid91940-86-2DTXSID90343812RefChem:471674DTXCID80294889801-505-62-ethoxypyridine-4-carboxylic acid2-Ethoxy-4-pyridinecarboxylic acid2-EthoxyisonicotinicacidMFCD041157192-ethoxy-isonicotinic acid2-Ethoxyisonicotinic acid #
Show more names
2-EthoxyisonicotinicaciEthoxyisonicotinic acid4-Pyridinecarboxylic acid, 2-ethoxy-
SCHEMBL19925142-Ethoxy Isonicotinic AcidSCHEMBL30723841MFCD0411571RDA94086SBB052955AKOS000206182AB20466
Database identifiers
- CAS
91940-86-2- PubChem CID
- 592401
- DTXSID
DTXSID90343812- EC Number
- 801-505-6
- Nikkaji
- J1.397.490J
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Boiling point
- 383.1 · 383.1±22.0 °C(Predicted)
- Density
- 1.231 · 1.231±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 1.85 · 1.85±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
- HS Code
- 2933399990 · 2933399990
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 (50%): 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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers30 total
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Syntechem Co.,Ltd[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
成都添福瑞生物科技有限公司18030648795 18030648795 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
衢州爱美康生物科技有限公司0570-3081766 18357083060 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海双锕化学科技有限公司15010167677 · [email protected]
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
Related reactions
6 records
Compound notes
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