Methyl 3-fluoro-4-(hydroxymethyl)benzoate
Basic information
- CAS
937636-18-5- Standard SMILES
COC(=O)c1ccc(CO)c(F)c1- InChIKey
KEMYSTHNPDGPNS-UHFFFAOYSA-N- Molecular formula
- C9H9FO3
- Average molar mass
- 184.16 g/mol
- Monoisotopic mass
- 184.05357231
Names & identifiers
- Preferred name
- Methyl 3-fluoro-4-(hydroxymethyl)benzoate
- IUPAC
- methyl 3-fluoro-4-(hydroxymethyl)benzoate
- English name
- Benzoic acid, 3-fluoro-4-(hydroxyMethyl)-, Methyl ester
- Molecular formula
- C9H9FO3
- Molecular weight
- 184.16
Names & synonyms
METHYL 3-FLUORO-4-(HYDROXYMETHYL)BENZOATE937636-18-5DTXSID60586350RefChem:354992DTXCID10537115976-444-2MFCD09836511Benzoic acid, 3-fluoro-4-(hydroxyMethyl)-, Methyl esterMethyl 3-fluoro-4-(hydroxymethyl);benzoatemethyl 3-fluoro-4-hydroxymethylbenzoateSCHEMBL27150109CL9331
Show more names
Methyl 3-fluoro-4-(hydroxymethyl)Methyl 3-fluoro-4-(hydroxymethyl)benzoate 99%
AKOS005064559DS-5931SY115316DB-143085CS-0042796EN300-178658METHYL3-FLUORO-4-(HYDROXYMETHYL)BENZOATEF336013
Database identifiers
- CAS
937636-18-5- PubChem CID
- 16640912
- DTXSID
DTXSID60586350- EC Number
- 976-444-2
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Boiling point
- 303.2 · 303.2±37.0 °C(Predicted)
- Density
- 1.266 · 1.266±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 13.76 · 13.76±0.10(Predicted)
- form
- solid
- color
- Light gold to beige to brown
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- 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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2916399090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Suppliers
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Related reactions
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Compound notes
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