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Basic information
- CAS
109227-12-5- Standard SMILES
O=C(Cl)c1c(F)cccc1C(F)(F)F- InChIKey
ZDRYDSJMVRRAAF-UHFFFAOYSA-N- Molecular formula
- C8H3ClF4O
- Average molar mass
- 226.55 g/mol
- Monoisotopic mass
- 225.9808551
Names & identifiers
- Preferred name
- 2-Fluoro-6-(trifluoromethyl)benzoyl chloride
- IUPAC
- 2-fluoro-6-(trifluoromethyl)benzoyl chloride
- English name
- 2-Fluoro-6-(trifluoromethyl)benzoyl chloride
- Molecular formula
- C8H3ClF4O
- Molecular weight
- 226.56
Names & synonyms
2-Fluoro-6-(trifluoromethyl)benzoyl chloride109227-12-5DTXSID30148848RefChem:87116DTXCID5071339624-789-1ZDRYDSJMVRRAAF-UHFFFAOYSA-N2-fluoro-6-(trifluoromethyl)benzoylchlorideMFCD00061160alpha,alpha,alpha,6-Tetrafluoro-o-toluoyl Chloride2-fluoro-6-trifluoromethylbenzoyl chlorideOTF-BOC-6F
Show more names
SKL1230à,à,à,6-tetrafluoro-o-toluoyl chloride2-Trifluoromethyl-6-fluorobenzoyl chloride2-Fluoro-6-(trifluoromethyl)benzoylchloride97%2-Fluoro-6-(trifluoromethyl)benzoylChloride>Benzoyl chloride, 2-fluoro-6-(trifluoromethyl)-2-Fluoro-6-(trifluoromethyl)benzoyl chloride 97%
ATTERCOP-CHM AT107063Benzoyl chloride, 2-fluoro-6-(trifluoromethyl)-AS00068SCHEMBL476764SBB097006AKOS015853252JS-4099SY049009
Database identifiers
- CAS
109227-12-5- PubChem CID
- 145458
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 228
Physicochemical properties
- Boiling point
- 194 °C · 194 °C (lit.)
- Density
- 1.465 g/mL · 1.465 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.452(lit.)
- Flash point
- 180 °F · 180 °F
- form
- clear liquid
- color
- Colorless to Almost colorless
- Specific Gravity
- 1.465 · 1.465
- Sensitive
- Moisture Sensitive
- InChI
- 1S/C8H3ClF4O/c9-7(14)6-4(8(11,12)13)2-1-3-5(6)10/h1-3H
- InChIKey
- ZDRYDSJMVRRAAF-UHFFFAOYSA-N
- SMILES
- Fc1cccc(c1C(Cl)=O)C(F)(F)F
- CAS DataBase Reference
- 109227 · 109227-12-5(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
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
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory.；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 Corr. 1B (100%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 3265 8/PG 2
- hs_code
- 29163990
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 26-27-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
Chemistry & industry
Suppliers61 total
河北凡博医药科技有限公司15588346797 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [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]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
广东百科试剂有限公司13532366769 13686183698 · [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]
上海辅欣医药科技有限公司+86-021-021-50872116 · [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）
Related reactions
16 records
Compound notes
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