Basic information
- CAS
32890-87-2- Standard SMILES
O=C(O)c1ccc(C(F)(F)F)cc1C(F)(F)F- InChIKey
JTOIZLCQNWWDCN-UHFFFAOYSA-N- Molecular formula
- C9H4F6O2
- Average molar mass
- 258.12 g/mol
- Monoisotopic mass
- 258.01154869
Names & identifiers
- Preferred name
- 2,4-Bis(trifluoromethyl)benzoic acid
- IUPAC
- 2,4-bis(trifluoromethyl)benzoic acid
- English name
- 2,4-BIS(TRIFLUOROMETHYL)BENZOIC ACID
- Molecular formula
- C9H4F6O2
- Molecular weight
- 258.12
Names & synonyms
2,4-Bis(trifluoromethyl)benzoic acid32890-87-22,4-di(Trifluoromethyl)benzoic acidDTXSID90954548RefChem:82222DTXCID801382564621-898-6JTOIZLCQNWWDCN-UHFFFAOYSA-NMFCD00042496BENZOIC ACID, 2,4-BIS(TRIFLUOROMETHYL)-Maybridge4_0032832,4-Bis(trifluoromethyl)benzoicacid
Show more names
RARECHEM AL BO 05122,4-bis(trifluoromethyl)benzoateBenzoicacid,2,4-bis(trifluoroMethyl)-2,4-Bis(trifluoromethyl)benzoicacid98%2,4-Bis(trifluoromethyl)benzoic acid 98%2,4-BIS(TRIFLUOROMETHYL)BENZOIC ACID, 99 %4-Carboxy-alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-m-xylene
2,4-bis-trifluoromethylbenzoic acid2,4-bis-trifluoromethyl-benzoic acid2,4 - Bis(trifluoromethyl)benzoic acid2,4-bis-trifluoromethyl-benzSCHEMBL424263SCHEMBL11805874HMS1530F05STR06091
Database identifiers
- CAS
32890-87-2- PubChem CID
- 141752
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 295
Physicochemical properties
- Melting point
- 109 · 109-111 °C(lit.)
- Boiling point
- 219 ℃ · 219℃
- Density
- 1.527 · 1.527
- Flash point
- 86 ℃ · 86℃
- storage temp.
- 2 · 2-8°C
- pka
- 2.72 · 2.72±0.36(Predicted)
- form
- Crystalline Powder
- color
- Almost white
- BRN
- 2057460 · 2057460
- CAS DataBase Reference
- 32890 · 32890-87-2(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
- Risk Statements
- 36 · 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]
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 47 reports by companies from 6 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
- wgk
- 3
- hs_code
- 29163990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39-36
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers71 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Related reactions
16 records
Compound notes
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