Basic information
- CAS
25922-41-2- Standard SMILES
O=C(O)c1c(Cl)ccc(C(F)(F)F)c1Cl- InChIKey
WRNSEKNHEIXBES-UHFFFAOYSA-N- Molecular formula
- C8H3Cl2F3O2
- Average molar mass
- 259.01 g/mol
- Monoisotopic mass
- 257.9462192
Names & identifiers
- Preferred name
- 2,6-Dichloro-3-(trifluoromethyl)benzoic acid
- IUPAC
- 2,6-dichloro-3-(trifluoromethyl)benzoic acid
- English name
- 2,6-Dichloro-3-(trifluoromethyl)-benzoic acid
- Molecular formula
- C8H3Cl2F3O2
- Molecular weight
- 259.01
Names & synonyms
2,6-dichloro-3-(trifluoromethyl)benzoic Acid25922-41-2DTXSID10470518RefChem:445367DTXCID404213362,6-Dichloro-3-trifluoromethylbenzoic acid2,6-Dichloro-3-trifluoromethyl-benzoic acidBenzoic acid, 2,6-dichloro-3-(trifluoromethyl)-MFCD097439172,6-Dichloro-3-(trifluoromethyl)-benzoic acid2,6-Dichloro-3-(trifluoromethyl)benzoicacidSCHEMBL3236266
Show more names
2,6-Dichloro-3-(trifluoromethyl)-benzoic acid ISO 9001：2015 REACH
WRNSEKNHEIXBES-UHFFFAOYSA-NSBB065167AKOS015890609JS-4852DB-067493E902262,6-Dichloro-3-(trifluoromethyl)benzoicacid,97%F337898
Database identifiers
- CAS
25922-41-2- PubChem CID
- 11680459
- DTXSID
DTXSID10470518- EC Number
- 607-829-2
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 257
Physicochemical properties
- Melting point
- 98 · 98-102℃
- Boiling point
- 301.4 · 301.4±42.0 °C(Predicted)
- Density
- 1.625 · 1.625±0.06 g/cm3(Predicted)
- pka
- 1.17 · 1.17±0.25(Predicted)
- CAS DataBase Reference
- 25922 · 25922-41-2
- 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
- HS Code
- 2916399090 · 2916399090
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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- hs_code
- 2916399090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses2,6-Dichloro-3-(trifluoromethyl)benzoic acid is an acid derivative that can be used as an organic intermediate.
Suppliers35 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
苏州启航生物科技有限公司18662190603;18151111370 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
郑州安步防护用具有限公司+86-0371-88006763; +86-15988602810 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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