Basic information
- CAS
443-87-8- Standard SMILES
Cc1c(O)cccc1F- InChIKey
OMGVVVBQKWNRQA-UHFFFAOYSA-N- Molecular formula
- C7H7FO
- Average molar mass
- 126.13 g/mol
- Monoisotopic mass
- 126.04809306
Names & identifiers
- Preferred name
- 3-Fluoro-2-methylphenol
- IUPAC
- 3-fluoro-2-methylphenol
- English name
- 3-Fluoro-2-methylphenol
- Molecular formula
- C7H7FO
- Molecular weight
- 126.13
Names & synonyms
3-Fluoro-2-methylphenol443-87-8DTXSID70307159RefChem:93901DTXCID00258286675-090-32-methyl-3-fluorophenolMFCD03788546fluorocresolNSC190309CS-W003104NSC-190309
Show more names
3-Fluoro-o-cresol3-Fluoro-2-methylpheMethyl-3-fluorophenol2-Fluoro-6-hydroxytoluenePhenol,3-fluoro-2-Methyl-3-Fluoro-2-methylphenol98%2-Fluoro-6-hydroxytoluene, 3-Fluoro-o-cresol2-methyl-4-fluorophenoland 2-methyl-3-flurophenol
AC-3799SY023068Phenol, 3-fluoro-2-methyl-3-fluoro-2-methyl-phenolAM615533-Fluoro-2-Methyl PhenolDTXSID70307SCHEMBL910816
Database identifiers
- CAS
443-87-8- PubChem CID
- 302628
- DTXSID
DTXSID70307159- EC Number
- 675-090-3
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 94.9
Physicochemical properties
- Melting point
- 53.2 · 53.2-53.9
- Boiling point
- 188 °C · 188°C
- Density
- 1.164 · 1.164
- Flash point
- 78 °C · 78°C
- storage temp.
- Sealed in dry,Room Temperature
- form
- Powder
- pka
- 9.32 · 9.32±0.10(Predicted)
- Appearance
- White to yellow Solid
- CAS DataBase Reference
- 443 · 443-87-8(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 302 · H302-H314-H332
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
- Hazard Codes
- Xi,T,Xn
- Risk Statements
- 22 · 22-37/38-41-51
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
Danger
H302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- hs_code
- 2908990000
- risk_code
- 22-37/38-41-51
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- hazard_code
- Xi,T,Xn
- hazard_note
- Irritant
- safety_code
- 26-39
- hazard_class
- TOXIC
- Hazard statements
- H302-H314-H332
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Chemistry & industry
Applications
Usesis used in perparation of indole-like derivatives with ROR-gamma-t regulating activity for prevention and treatment of ROR-gamma-t-related diseases.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
常州帝通化工有限公司+86-0519-88298848 · [email protected]
陕西格列弗生物科技研究有限责任公司13892423764 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海策嵘生物科技有限公司[email protected]
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
邹平创新药业有限公司13561560789 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Related reactions
8 records
Compound notes
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