Basic information
- CAS
168080-76-0- Standard SMILES
Cc1c(F)cccc1C(=O)Cl- InChIKey
OIDAXOKENZZBPF-UHFFFAOYSA-N- Molecular formula
- C8H6ClFO
- Average molar mass
- 172.58 g/mol
- Monoisotopic mass
- 172.00912071
Names & identifiers
- Preferred name
- 3-Fluoro-2-methylbenzoyl chloride
- IUPAC
- 3-fluoro-2-methylbenzoyl chloride
- English name
- Benzoyl chloride, 3-fluoro-2-methyl- (9CI)
- Molecular formula
- C8H6ClFO
- Molecular weight
- 172.58
Names & synonyms
3-Fluoro-2-methylbenzoyl chloride168080-76-0Benzoyl chloride, 3-fluoro-2-methyl-MFCD016312513-fluoro-2-methyl-benzoyl ChlorideSCHEMBL34420023-Fluoro-2-methylbenzoylchlorideDTXSID603813422-methyl-3-fluorobenzoyl chlorideOIDAXOKENZZBPF-UHFFFAOYSA-NSBB088713AKOS015956660
Show more names
BENZOYL CHLORIDE, 3-FLUORO-2-METHYLBenzoyl chloride, 3-fluoro-2-methyl- (9CI)
JS-4465DB-274983E97731F342590
Database identifiers
- CAS
168080-76-0- PubChem CID
- 2779240
- DTXSID
DTXSID60381342
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Boiling point
- 211.2 · 211.2±20.0 °C(Predicted)
- Density
- 1.265 · 1.265±0.06 g/cm3(Predicted)
- form
- liquid
- color
- Clear, colourless
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- 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.
Safety data
- hs_code
- 2916399090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers10 total
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
安徽合诺生物科技有限公司0555-2761852
安徽合诺生物科技有限公司18455579438
南京代盟化工有限公司02566880956 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
诺尔凯立科技有限公司86-(0)21-31261262 373522135 · [email protected]
菏泽星达医药科技有限公司13583079096 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
山东煜昌药业有限公司531-87153728 13805401165 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
30 records
Compound notes
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