Basic information
- CAS
458-04-8- Standard SMILES
O=C(Cl)Cc1cccc(F)c1- InChIKey
SKOMBKMLOHIBTF-UHFFFAOYSA-N- Molecular formula
- C8H6ClFO
- Average molar mass
- 172.58 g/mol
- Monoisotopic mass
- 172.00912071
Names & identifiers
- Preferred name
- 2-(3-Fluorophenyl)acetyl chloride
- IUPAC
- 2-(3-fluorophenyl)acetyl chloride
- English name
- 3-Fluorophenylacetyl chloride
- Molecular formula
- C8H6ClFO
- Molecular weight
- 172.58
Names & synonyms
2-(3-fluorophenyl)acetyl chlorideRefChem:455568676-331-53-Fluorophenylacetyl chloride458-04-83-Fluorophenylacetylchloride(3-fluorophenyl)acetyl chlorideBenzeneacetyl chloride,3-fluoro-MFCD07787556(3-fluorophenyl)-acetyl chlorideBenzeneacetyl chloride, 3-fluoro-3-Fluorobenzeneacetyl chloride
Show more names
3-Fluorophenylace...Between fluorobenzene chloride3-Fluorophenylacetyl chloride 97+%Acetylchloride, (m-fluorophenyl)- (8CI)
SCHEMBL1149255(3-fluorophenyl) acetyl chlorideDTXSID70508907SKOMBKMLOHIBTF-UHFFFAOYSA-N2-(3-Fluorophenyl)ethanoyl chlorideSBB088714AKOS000732795PS-10934
Database identifiers
- CAS
458-04-8- PubChem CID
- 12751635
- DTXSID
DTXSID70508907- EC Number
- 676-331-5
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Boiling point
- 217.2 · 217.2±23.0 °C(Predicted)
- Density
- 1.278 · 1.278±0.06 g/cm3(Predicted)
- form
- liquid
- color
- Clear, colourless
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 280 · P280-P309+P311
- RIDADR
- 1760 · UN1760
- HazardClass
- 8 · 8
- HS Code
- 2916399090 · 2916399090
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
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 (66.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (66.7%)
Safety data
- ridadr
- UN1760
- hs_code
- 2916399090
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_class
- 8
- Hazard statements
- H314
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P280-P309+P311
Chemistry & industry
Suppliers27 total
南京波普生物医药研发有限公司025-87138562 18951783565 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海辅欣医药科技有限公司021-50872116 13391048226 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
成都瑞欧克科技有限公司028-64353063 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
Related reactions
10 records
Compound notes
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