Basic information
- CAS
174403-69-1- Standard SMILES
COC(=O)c1ccc(F)cc1C- InChIKey
ZQFCTCYDRQFPBU-UHFFFAOYSA-N- Molecular formula
- C9H9FO2
- Average molar mass
- 168.16 g/mol
- Monoisotopic mass
- 168.05865769
Names & identifiers
- Preferred name
- Methyl 4-fluoro-2-methylbenzoate
- IUPAC
- methyl 4-fluoro-2-methylbenzoate
- English name
- Methyl 4-fluoro-2-methylbenzoate
- Molecular formula
- C9H9FO2
- Molecular weight
- 168.16
Names & synonyms
methyl 4-fluoro-2-methylbenzoate174403-69-1DTXSID00381962RefChem:355710DTXCID30332987899-763-8BENZOIC ACID, 4-FLUORO-2-METHYL-, METHYL ESTERMFCD062037904-FLUORO-2-METHYLBENZOIC ACID METHYL ESTERMethyl 4-fluoro-2-methyl-benzoate4-Floro-2-methylbenzoic acid methyl esterCK1099
Show more names
Baloxavir Impurity 58RARECHEM AL BF 0506Baloxavir Marboxil Impurity 58methyl 2-methyl-4-fluorobenzoatePropiconazole Impurity 10 (Bromuconazole)2-Methyl-4-fluorobenzoic acid methyl esterBENZOIC ACID,4-FLUORO-2-METHYL-,METHYL ESTER
AKOS006294476CS-W019553DS-1388SY0245054-fluoro-2-methyl benzoic acid methyl ester4-Fluoro-2-methyl-benzoic acid methyl esterSCHEMBL1097161SCHEMBL7701193
Database identifiers
- CAS
174403-69-1- PubChem CID
- 2782181
- DTXSID
DTXSID00381962- EC Number
- 899-763-8
- Nikkaji
- J3.496.433E
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 170
Physicochemical properties
- Boiling point
- 206 ℃ · 206℃
- Density
- 1.137 · 1.137
- Flash point
- 77 ℃ · 77℃
- storage temp.
- Sealed in dry,Room Temperature
- form
- Liquid
- color
- Colorless
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H290
- Precautionary statements
- 501 · P501-P260-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405
- HS Code
- 2916399090 · 2916399090
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
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, 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 CategoriesFlam. Liq. 4 (100%)
Safety data
- hs_code
- 2916399090
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H314-H290
- Precautionary statements
- P501-P260-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405
Chemistry & industry
Applications
UsesMethyl 4-fluoro-2-methylbenzoate is an impurity of baloxavir and can be used for new drug application and research.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海策嵘生物科技有限公司[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
Related reactions
13 records
Compound notes
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