Basic information
- CAS
112811-66-2- Standard SMILES
COc1c(F)c(F)cc(C(=O)Cl)c1F- InChIKey
JVQSZTJTWSUJCR-UHFFFAOYSA-N- Molecular formula
- C8H4ClF3O2
- Average molar mass
- 224.56 g/mol
- Monoisotopic mass
- 223.98519171
Names & identifiers
- Preferred name
- 2,4,5-Trifluoro-3-methoxybenzoyl chloride
- IUPAC
- 2,4,5-trifluoro-3-methoxybenzoyl chloride
- English name
- 2,4,5-Trifluoro-3-methoxybenzoyl chloride
- Molecular formula
- C8H4ClF3O2
- Molecular weight
- 224.56
Names & synonyms
2,4,5-Trifluoro-3-methoxybenzoyl chloride112811-66-2DTXSID90379494RefChem:245563DTXCID90330520629-469-53-methoxy-2,4,5-trifluorobenzoyl chlorideMoxifloxacin Impurity 1Benzoyl chloride, 2,4,5-trifluoro-3-methoxy-MFCD026820122,4,5-trifluoro-3-methoxy-benzoyl chlorideGatifloxacin Impurity 5
Show more names
SKL13122,4,5-Trifluoro-3-meMoxifloxacin Impurity 50(Not Continue)2,4,5-tifluoro-3-MethoxybenzoylchlorideBenzoyl chloride,2,4,5-trifluoro-3-methoxy-2,4,5-Trifluoro-3-methoxybenzoyl chloride 97%2,4,5-Trifluoro-3-Methoxybenzoyl chloride,97%2,4,5-Trifluoro-3-methoxybenzoyl chloride (Moxifloxacin Impurity)
SCHEMBL605762JVQSZTJTWSUJCR-UHFFFAOYSA-NSBB067898AKOS0158897822,4,5-trifluoro-3-methoxybenzoylchloridePS-10683SY263676DB-019809
Database identifiers
- CAS
112811-66-2
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Boiling point
- 229.2 · 229.2±35.0 °C(Predicted)
- Density
- 1.472 g/mL · 1.472 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.503(lit.)
- Flash point
- 126 °F · 126 °F
- storage temp.
- RT, stored under nitrogen
- form
- liquid
- color
- Clear, colourless
- InChI
- InChI=1S/C8H4ClF3O2/c1-14-7-5(11)3(8(9)13)2-4(10)6(7)12/h2H,1H3
- InChIKey
- JVQSZTJTWSUJCR-UHFFFAOYSA-N
- SMILES
- C(Cl)(=O)C1=CC(F)=C(F)C(OC)=C1F
- CAS DataBase Reference
- 112811 · 112811-66-2(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 48.1% (37 of 77) of reports.
Danger
H314 (51.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 77 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (51.9%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 1760 8/PG 2
- hs_code
- 2918999090
- risk_code
- 34-36/37/38-20/21/22-14-29
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45-24/25-23-8-30
- Storage Class
- 8A - Combustible corrosive hazardous materials
- Hazard statements
- H314
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Applications
Uses2,4,5-Trifluoro-3-methoxybenzoyl chloride was used as an intermediate of Moxifloxacin hydrochloride.
Suppliers100 total
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
广州朗欧生物科技有限公司15876533741 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Related reactions
11 records
Compound notes
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