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Basic information
- CAS
319-60-8- Standard SMILES
COc1c(F)cc(C(=O)O)cc1F- InChIKey
YOWQTTYAQQPSHM-UHFFFAOYSA-N- Molecular formula
- C8H6F2O3
- Average molar mass
- 188.13 g/mol
- Monoisotopic mass
- 188.02850037
Names & identifiers
- Preferred name
- 3,5-Difluoro-4-methoxybenzoic acid
- IUPAC
- 3,5-difluoro-4-methoxybenzoic acid
- English name
- 3,5-Difluoro-4-methoxybenzoic acid
- Molecular formula
- C8H6F2O3
- Molecular weight
- 188.13
Names & synonyms
3,5-Difluoro-4-methoxybenzoic acid319-60-8DTXSID40371746RefChem:271763DTXCID00322779630-013-2MFCD010909943,5-DIFLUORO-4-METHOXYBENZOICACID3,5-difluoro-4-methoxy-benzoic Acid3,5-difluoro-4-methoxy benzoic acidBenzoic acid, 3,5-difluoro-4-methoxy-3,5-difluoro-4-methoxy
Show more names
4-Carboxy-2,6-difluoroanisole3,5-Difluoro-4-methoxybenzoicacid99%3,5-difluoro-4-methoxybenbenzoic acid3,5-Difluoro-4-methoxybenzoic acid 99%4-Carboxy-2,6-difluoroanisole, 3,5-Difluoro-p-anisic acid
SCHEMBL1458628YOWQTTYAQQPSHM-UHFFFAOYSA-N3,5difluoro-4-methoxy benzoic acidCK1066SBB0907033,5 difluoro-4-methoxy benzoic acidAKOS009159220FD64202
Database identifiers
- CAS
319-60-8- PubChem CID
- 2736987
- DTXSID
DTXSID40371746- EC Number
- 630-013-2
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Melting point
- 164 · 164-166°C
- Boiling point
- 286 ℃ · 286℃
- Density
- 1.399 · 1.399
- Flash point
- 127 ℃ · 127℃
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- crystalline powder
- pka
- 3.79 · 3.79±0.10(Predicted)
- color
- White
- CAS DataBase Reference
- 319 · 319-60-8(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
- Xi,T
- Risk Statements
- 25 · 25-36/37/38
- Safety Statements
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]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 9 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Safety data
- hs_code
- 29189900
- risk_code
- 25-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,T
- hazard_note
- Irritant
- safety_code
- 45-37-26
- Hazard statements
- H315-H319-H335
- Precautionary statements
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers67 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
韶远科技(上海)有限公司4000665055 · [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]
苏州启航生物科技有限公司18151111370 · [email protected]
杭州品高化工有限公司0571-87658025 · [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]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Related reactions
11 records
Compound notes
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