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Basic information
- CAS
320-32-1- Standard SMILES
O=C(O)c1ccc(O)cc1C(F)(F)F- InChIKey
CSQAVQLFCBRQJM-UHFFFAOYSA-N- Molecular formula
- C8H5F3O3
- Average molar mass
- 206.12 g/mol
- Monoisotopic mass
- 206.0190785
Names & identifiers
- Preferred name
- 4-Hydroxy-2-(trifluoromethyl)benzoic acid
- IUPAC
- 4-hydroxy-2-(trifluoromethyl)benzoic acid
- English name
- 4-Hydroxy-2-(trifluoromethyl)benzoic acid
- Molecular formula
- C8H5F3O3
- Molecular weight
- 206.12
Names & synonyms
4-hydroxy-2-(trifluoromethyl)benzoic Acid320-32-1DTXSID00379389RefChem:293156DTXCID00330415630-015-3MFCD010910074-HYDROXY-2-TRIFLUOROMETHYLBENZOIC ACIDBenzoic acid, 4-hydroxy-2-(trifluoromethyl)-4-Hydroxy-2-(trifluoromethyl)benzoicAcidSCHEMBL1877874-Cbz-Morpholine-3-carboxylicacid
Show more names
2-Trifluoromethyl-4-hydroxybenzoic acid4-Hydroxy-2-(trifluoromethyl)benzoic acid 99%4-Carboxy-3-(trifluoromethyl)phenol, 2-Carboxy-5-hydroxybenzotrifluoride
CL8121SBB093586AKOS009157829CS-W008376PS-80864-hydroxy-2-trifluoromethyl-benzoic acidAC-26053SY018811
Database identifiers
- CAS
320-32-1- PubChem CID
- 2775111
- DTXSID
DTXSID00379389- EC Number
- 630-015-3
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 226
Physicochemical properties
- Melting point
- 159 · 159-161°C
- Boiling point
- 322.6 · 322.6±42.0 °C(Predicted)
- Density
- 1.539 · 1.539±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 3.6 · 3.60±0.36(Predicted)
- form
- crystalline powder
- color
- White
- Water Solubility
- Slightly soluble in water.
- InChI
- InChI=1S/C8H5F3O3/c9-8(10,11)6-3-4(12)1-2-5(6)7(13)14/h1-3,12H,(H,13,14)
- InChIKey
- CSQAVQLFCBRQJM-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=CC=C(O)C=C1C(F)(F)F
- CAS DataBase Reference
- 320 · 320-32-1(CAS DataBase Reference)
- UNSPSC Code
- 12352106 · 12352106
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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 7 reports by companies from 3 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
- wgk
- WGK 3
- hs_code
- 2918199890
- risk_code
- 36-51
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
Uses4-Hydroxy-2-(trifluoromethyl)benzoic acid is used in pharm industry.
Upstream & downstream products
Downstream products
Suppliers72 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [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]
上海毕得医药科技股份有限公司
Related reactions
9 records
Compound notes
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