Basic information
- CAS
455-69-6- Standard SMILES
COC(=O)c1ccnc(F)c1- InChIKey
MTZKFHSYUSUUIU-UHFFFAOYSA-N- Molecular formula
- C7H6FNO2
- Average molar mass
- 155.13 g/mol
- Monoisotopic mass
- 155.03825665
Names & identifiers
- Preferred name
- Methyl 2-fluoropyridine-4-carboxylate
- IUPAC
- methyl 2-fluoropyridine-4-carboxylate
- English name
- Methyl 2-Fluoroisonicotinate
- Molecular formula
- C7H6FNO2
- Molecular weight
- 155.13
Names & synonyms
methyl 2-fluoropyridine-4-carboxylateRefChem:814417630-609-2methyl 2-fluoroisonicotinate455-69-64-PYRIDINECARBOXYLIC ACID, 2-FLUORO-, METHYL ESTERMFCD116560632-FLUORO-4-PYRIDINECARBOXYLIC ACID METHYL ESTERMethyl2-FluoroisonicotinateMethyl 2-FluoroisonicotinateNSC4029944-PYRIDINECARBOXYLIC ACID,2-FLUORO-,METHYL ESTER
Show more names
methyl 2-fluoro-4-pyridinecarboxylate2-fluoro-isonicotinic acid methyl esterMethyl 2-Fluoroisonicotinate ISO 9001：2015 REACH
SCHEMBL10464528SCHEMBL25385316SCHEMBL30378469DTXSID80323082AKOS011223867Methyl 2-fluoropyridine-4-carboxylateNSC-402994SB10594
Database identifiers
- CAS
455-69-6- PubChem CID
- 345379
- DTXSID
DTXSID80323082- EC Number
- 630-609-2
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Boiling point
- 82 · 82-85 °C(Press: 8 Torr)
- Density
- 1.251 g/mL · 1.251 g/mL at 25 °C
- refractive index
- 20 · n20/D 1.488
- Flash point
- 93 °C · 93 °C
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- liquid
- pka
- -2.54 · -2.54±0.10(Predicted)
- Appearance
- Colorless to light yellow Solid-liquid mixture
- InChI
- 1S/C7H6FNO2/c1-11-7(10)5-2-3-9-6(8)4-5/h2-4H,1H3
- InChIKey
- MTZKFHSYUSUUIU-UHFFFAOYSA-N
- SMILES
- COC(=O)c1ccnc(F)c1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318
Safety & regulation
GHS classification
GHS Classification
Danger
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Dam. 1 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- hs_code
- 2933399990
- risk_code
- 41
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi
- safety_code
- 26
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H318
- Hazard Classifications
- Eye Dam. 1
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers64 total
阜新奥瑞凯精细化工有限公司0418-5113999 18740177324 · [email protected]
青岛鼎新海诺商贸有限公司18661607483
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海药诚医药科技合伙企业（有限合伙）400-6181121 18616381138 · [email protected]
湖北辰心化工有限公司18696113233 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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