Basic information
- CAS
74385-37-8- Standard SMILES
COC(=O)c1ccc(F)c(OC)c1- InChIKey
BKTVDAXZKFVQPF-UHFFFAOYSA-N- Molecular formula
- C9H9FO3
- Average molar mass
- 184.16 g/mol
- Monoisotopic mass
- 184.05357237
Names & identifiers
- Preferred name
- Methyl 4-fluoro-3-methoxybenzoate
- IUPAC
- methyl 4-fluoro-3-methoxybenzoate
- English name
- Methyl 4-fluoro-3-Methoxybenzoate
- Molecular formula
- C9H9FO3
- Molecular weight
- 184.16
Names & synonyms
Methyl 4-fluoro-3-methoxybenzoate74385-37-8DTXSID90343877RefChem:355712DTXCID70294954692-643-4MFCD06203732Methyl4-fluoro-3-methoxybenzoateBenzoic acid, 4-fluoro-3-methoxy-, methyl esterSCHEMBL157203CS-B1029methyl 4-fluoro-3-methoxy-benzoate
Show more names
SKL3534-Fluoro-3- methoxy Methyl benzoate
Methyl 4-fluoro-3-methoxybenzoate #SY3171444-fluoro-3-methoxybenzoic acid methyl esterFT-0684597ZCA385374-fluoro-3-methoxybenzoic acid methylAKOS006294238LF-0029
Database identifiers
- CAS
74385-37-8- PubChem CID
- 592847
- DTXSID
DTXSID90343877- EC Number
- 692-643-4
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Melting point
- 40 °C · 40 °C(Solv: ethanol (64-17-5))
- Boiling point
- 250.5 · 250.5±20.0 °C(Predicted)
- Density
- 1.184 · 1.184±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- solid
- Appearance
- White to off-white Solid
- InChI
- 1S/C9H9FO3/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5H,1-2H3
- InChIKey
- BKTVDAXZKFVQPF-UHFFFAOYSA-N
- SMILES
- O=C(OC)C1=CC(OC)=C(F)C=C1
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332
- Precautionary statements
- 260 · P260-P280-P312
- WGK Germany
- 3 · WGK 3
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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%)
Safety data
- wgk
- WGK 3
- hs_code
- 2916310090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302+H312+H332
- Precautionary statements
- P260-P280-P312
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers38 total
上海康恩博医药科技有限公司17510465506 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Nanjing Fred Technology Co., Ltd+86-25-84696168 +86-15380713688 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]
Aladdin Scientific[email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
南京药石科技股份有限公司025-86918202 4000255188 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
菏泽博纳医药科技有限公司15865805009 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
Related reactions
9 records
Compound notes
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