Basic information
- CAS
405-06-1- Standard SMILES
COc1ccc(C)c(F)c1- InChIKey
WQOHEWKWIJOAHQ-UHFFFAOYSA-N- Molecular formula
- C8H9FO
- Average molar mass
- 140.15 g/mol
- Monoisotopic mass
- 140.06374313
Names & identifiers
- Preferred name
- 3-Fluoro-4-methylanisole
- IUPAC
- 2-fluoro-4-methoxy-1-methylbenzene
- English name
- 3-FLUORO-4-METHYLANISOLE
- Molecular formula
- C8H9FO
- Molecular weight
- 140.15
Names & synonyms
3-Fluoro-4-methylanisole405-06-1DTXSID60379103RefChem:279433DTXCID703301292-fluoro-4-methoxy-1-methylbenzeneMFCD001431632-fluoro-4-methoxy-1-methyl-benzeneBenzene, 2-fluoro-4-methoxy-1-methyl-3-fluoro-4-methyl anisoleSCHEMBL317168SCHEMBL23273571
Show more names
2-Fluoro-4-methoxytoluene3-Fluoro-4-methylanisole99%3-Fluoro-4-methylanisole 99%3-Fluoro-4-Methylbenzyl Ether3-FLUORO-4-METHYLANISOLE ISO 9001：2015 REACH3-Fluoro-4-Methylanisole[2-Fluoro-4-Methoxytoluene]1-Fluoro-3-methoxy-6-methylbenzene-Fluoro-4-methoxytoluene
SCHEMBL29212774WQOHEWKWIJOAHQ-UHFFFAOYSA-NSBB086170AKOS006228808AC-3801DS-0568FF68103PS-9033
Database identifiers
- CAS
405-06-1- PubChem CID
- 2774571
- DTXSID
DTXSID60379103- EC Number
- 689-208-6
- Nikkaji
- J1.747.708K
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 105
Physicochemical properties
- Boiling point
- 63.5 · 63.5-64°C
- Density
- 1.046 · 1.046±0.06 g/cm3(Predicted)
- refractive index
- 1.4909 · 1.4909
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- Colorless to light yellow Liquid
- CAS DataBase Reference
- 405 · 405-06-1(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- F
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- Hazard Note
- Flammable
- HS Code
- 2909309090 · 2909309090
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.
Safety data
- hs_code
- 2909309090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- F
- hazard_note
- Flammable
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers85 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
常州帝通化工有限公司+86-0519-88298848 · [email protected]
上海策嵘生物科技有限公司[email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
Related reactions
17 records
Compound notes
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