Basic information
- CAS
395-82-4- Standard SMILES
COc1cc(F)ccc1C(=O)O- InChIKey
UUQDNAPKWPKHMK-UHFFFAOYSA-N- Molecular formula
- C8H7FO3
- Average molar mass
- 170.14 g/mol
- Monoisotopic mass
- 170.0379223
Names & identifiers
- Preferred name
- 4-Fluoro-2-methoxybenzoic acid
- IUPAC
- 4-fluoro-2-methoxybenzoic acid
- English name
- 4-Fluoro-2-methoxybenzoic acid
- Molecular formula
- C8H7FO3
- Molecular weight
- 170.14
Names & synonyms
4-Fluoro-2-methoxybenzoic acid395-82-4DTXSID70379093RefChem:98958DTXCID20330119630-039-44-fluoro-2-methoxy-benzoic Acid4-Fluoro-o-anisic AcidMFCD006730104-Fluoro-2-methoxybenzoicacidSCHEMBL9273384-fluoro-2-methoxy benzoic acid
Show more names
Jrd-1709BUTTPARK 51\01-27RARECHEM AL BE 10232-METHOXY-4-FLUOROBENZOIC ACID4-Fluoro-2-methoxybenzoicAcid>Benzoic acid, 4-fluoro-2-methoxy-2-Carboxy-5-fluoroanisole, 4-Fluoro-o-anisic acid4-Fluoro-2-Methoxybenzoic Acid 2-Methoxy-4-Fluorobenzoic Acid
CS-W002664FS-1325Z203240832Benzoic acid, 4-fluoro-2-methoxy-AM20050127FT-0654579SCHEMBL30675620SBB064420
Database identifiers
- CAS
395-82-4- PubChem CID
- 2774545
- DTXSID
DTXSID70379093- EC Number
- 630-039-4
- Nikkaji
- J3.145.195G
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Melting point
- 134 °C · 134 °C
- Boiling point
- 93 °C · 93 °C(Press: 10 Torr)
- Density
- 1.307 · 1.307±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- powder to crystal
- pka
- 4.03 · 4.03±0.10(Predicted)
- color
- White to Almost white
- CAS DataBase Reference
- 395 · 395-82-4(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-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/37/38-22
- Safety Statements
- 26 · 26-36-24/25
Safety & regulation
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)
Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 29163990
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 26-36-24/25
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers100 total
上海康恩博医药科技有限公司17510465506 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
13 records
Compound notes
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