Basic information
- CAS
25635-17-0- Standard SMILES
CCOC(=O)c1ccnc(C)c1- InChIKey
WOMYMRWGDVTGQI-UHFFFAOYSA-N- Molecular formula
- C9H11NO2
- Average molar mass
- 165.19 g/mol
- Monoisotopic mass
- 165.07897859
Names & identifiers
- Preferred name
- Ethyl 2-methylisonicotinate
- IUPAC
- ethyl 2-methylpyridine-4-carboxylate
- English name
- 2 -Methylisonicotinic acid ethyl ester
- Molecular formula
- C9H11NO2
- Molecular weight
- 165.19
Names & synonyms
Ethyl 2-methylisonicotinate25635-17-0ethyl 2-methylpyridine-4-carboxylate2 -METHYLISONICOTINIC ACID ETHYL ESTERMFCD097462442-Methylpyridine-4-carboxylic acid ethyl esterEthyl2-methylisonicotinate4-Pyridinecarboxylic acid, 2-methyl-, ethyl esterSCHEMBL363249DTXSID10482095WOMYMRWGDVTGQI-UHFFFAOYSA-N2-methyl-isonicotinic acid ethyl ester
Show more names
AKOS006280566EG-0710SY035991DB-082591CS-0061579F609868
Database identifiers
- CAS
25635-17-0- PubChem CID
- 12243767
- DTXSID
DTXSID10482095- EC Number
- 696-225-2
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- Boiling point
- 102 · 102-103 °C(Press: 4 Torr)
- Density
- 1.4985 g/cm3 · 1.4985 g/cm3
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 3.92 · 3.92±0.10(Predicted)
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 312 · H312-H332-H302
- Precautionary statements
- 261 · P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, 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%)；Acute Tox. 4 (100%)；Acute Tox. 4 (100%)
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H312-H332-H302
- Precautionary statements
- P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501
Chemistry & industry
Suppliers32 total
上海美律医药科技有限公司+86-53530655; +8613916485955 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉誉祥医药科技有限公司13971275651
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
上海常丰生物医药科技有限公司+86-021-61727342 13611721451 · [email protected]
上海拓目化工有限公司13391076197 · [email protected]
北京禾兴源科技有限公司18511709189 · [email protected]
上海美律医药科技有限公司21-53530655 18930806002 · [email protected]
上海超岚化工科技中心（原上海巢莱）0-2022843681 15618226720 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
江苏艾康生物医药研发有限公司
Related reactions
3 records
Compound notes
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