Basic information
- CAS
79427-88-6- Standard SMILES
O=C(O)c1cc(C(F)(F)F)ccc1O- InChIKey
YQDOJQUHDQGQPH-UHFFFAOYSA-N- Molecular formula
- C8H5F3O3
- Average molar mass
- 206.12 g/mol
- Monoisotopic mass
- 206.01907868
Names & identifiers
- Preferred name
- 2-hydroxy-5-(trifluoromethyl)benzoic Acid
- IUPAC
- 2-hydroxy-5-(trifluoromethyl)benzoic acid
- English name
- 2-Hydroxy-5-Trifluoromethyl Benzoic Acid
- Molecular formula
- C8H5F3O3
- Molecular weight
- 206.12
Names & synonyms
2-hydroxy-5-(trifluoromethyl)benzoic Acid79427-88-6DTXSID70455806RefChem:473258DTXCID60406625630-120-42-Hydroxy-5-trifluoromethylbenzoic acidMFCD07787570Benzoic acid, 2-hydroxy-5-(trifluoromethyl)-2-Hydroxy-5-(trifluoromethyl)benzoicacidSCHEMBL1306282-Hydroxy-5-Trifluoromethyl Benzoic Acid
Show more names
UKRORGSYN-BB BBV-2640385-Trifluoromethyl-2-hydroxybenzoic acid2-Hydroxy-5-Trifluoromethyl Benzoic Acid ISO 9001：2015 REACH2-Carboxy-4-(trifluoromethyl)phenol, 3-Carboxy-4-hydroxybenzotrifluoride, 5-(Trifluoromethyl)salicylic acid
YQDOJQUHYQDOJQUHDQGQPH-UHFFFAOYSA-YQDOJQUHDQGQPH-UHFFFAOYSA-NSBB0649975-TRIFLUOROMETHYLSALICYLIC ACIDAKOS015890461CS-W018876FS-3335
Database identifiers
- CAS
79427-88-6- PubChem CID
- 11117203
- DTXSID
DTXSID70455806- EC Number
Properties
Computed structural properties
- XLogP
- 3.3
- 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
- Boiling point
- 292.8 · 292.8±40.0 °C(Predicted)
- Density
- 1.539 · 1.539±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 2.55 · 2.55±0.10(Predicted)
- form
- solid
- color
- White
- InChI
- InChI=1S/C8H5F3O3/c9-8(10,11)4-1-2-6(12)5(3-4)7(13)14/h1-3,12H,(H,13,14)
- InChIKey
- YQDOJQUHDQGQPH-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=CC(C(F)(F)F)=CC=C1O
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P271-P280
- HS Code
- 2918290090 · 2918290090
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]
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 31 reports by companies from 4 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
- 2918290090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P271-P280
Chemistry & industry
Applications
Uses2-Hydroxy-5-(trifluoromethyl)benzoic acid
Upstream & downstream products
Upstream raw materials
Suppliers74 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [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]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Nanjing Fred Technology Co., Ltd+86-25-84696168 +86-15380713688 · [email protected]
常州稀亚生物科技有限公司13775267187 · [email protected]
Aladdin Scientific
Related reactions
6 records
Compound notes
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