m-Anisoyl chloride
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Basic information
- CAS
1711-05-3- Standard SMILES
COc1cccc(C(=O)Cl)c1- InChIKey
RUQIUASLAXJZIE-UHFFFAOYSA-N- Molecular formula
- C8H7ClO2
- Average molar mass
- 170.59 g/mol
- Monoisotopic mass
- 170.01345714
Names & identifiers
- Preferred name
- m-Anisoyl chloride
- IUPAC
- 3-methoxybenzoyl chloride
- English name
- 3-Methoxybenzoyl chloride
- Molecular formula
- C8H7ClO2
- Molecular weight
- 170.59
Names & synonyms
3-Methoxybenzoyl chloridem-Anisoyl chloridem-Methoxybenzoyl chlorideBenzoyl chloride, 3-methoxy-Benzoyl chloride, m-methoxy-EINECS 216-975-2DTXSID10169011RefChem:154859DTXCID6091502216-975-2RUQIUASLAXJZIE-UHFFFAOYSA-N1711-05-3
Show more names
3-MethoxybenzoyLAKOS BBS-000039143-METHOXYBENZOYL CHLm-Anisoyl chloride,99%3-Methoxybenzyl Chlorid3-Methoxybenzol chloride
3-anisoyl chlorideMFCD000006733-methoxybenzoylchlorideMM9WQ3B2N6m-anisic acid chloride3-Methoxybenzoic acid chloridem-anisoylchloride3-Anisoylchlorid
Database identifiers
- CAS
1711-05-3- PubChem CID
- 74374
- DTXSID
DTXSID10169011- UNII
- MM9WQ3B2N6
- EC Number
- 216-975-2
- Nikkaji
- J7.569H
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 147
Physicochemical properties
- Boiling point
- 123 · 123-125 °C15 mm Hg(lit.)
- Density
- 1.214 g/mL · 1.214 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.558(lit.)
- Flash point
- 198 °F · 198 °F
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- Liquid
- Specific Gravity
- 1.214 · 1.214
- color
- Clear colorless to light yellow
- Water Solubility
- Soluble in chloroform. Reacts with water.
- Sensitive
- Moisture Sensitive
- BRN
- 386659 · 386659
- InChI
- 1S/C8H7ClO2/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3
- InChIKey
- RUQIUASLAXJZIE-UHFFFAOYSA-N
- SMILES
- COc1cccc(c1)C(Cl)=O
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, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- F
- 10-19-21
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 1729 8/PG 2
- hs_code
- 29147000
- risk_code
- 34-36/37
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- II
- target organs
- Respiratory system
- Hazard statements
- H314-H335
Chemistry & industry
Applications
Uses3-Methoxybenzoyl chloride is used in the synthesis of 2-arylbenzofuran-based molecules that act against Alzheimers disease, combatting symptoms. In addition, it aids in the optimization of dihydropyrrolopyrimidine inhibitors against PI3K (phosphoinositide 3-kinase) resulting in tumor growth inhibition.
Upstream & downstream products
Downstream products
Related reactions
338 records
Compound notes
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