2,4,6-Trimethylbenzoyl chloride
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Basic information
- CAS
938-18-1- Standard SMILES
Cc1cc(C)c(C(=O)Cl)c(C)c1- InChIKey
UKRQMDIFLKHCRO-UHFFFAOYSA-N- Molecular formula
- C10H11ClO
- Average molar mass
- 182.64 g/mol
- Monoisotopic mass
- 182.04984265
Names & identifiers
- Preferred name
- 2,4,6-Trimethylbenzoyl chloride
- IUPAC
- 2,4,6-trimethylbenzoyl chloride
- English name
- 2,4,6-Trimethylbenzoyl chloride
- Molecular formula
- C10H11ClO
- Molecular weight
- 182.65
Names & synonyms
2,4,6-Trimethylbenzoyl chloride938-18-1Mesitoyl chlorideBenzoyl chloride, 2,4,6-trimethyl-9GTX8DB3BPNSC-97606DTXSID20239653RefChem:82146DTXCID70162144213-339-62,4,6-trimethylbenzoylchlorideMFCD00013650
Show more names
2,4,6-TrimethylbenzoylMesitylcarbonylchlorideTMBCchloride Benzoyl4 mino-1-Boc-piperidinechloride MesitylcarbonylTriMethylbenzoyl chloridchlorideMesitylene-2-carbonyl
2,4,6-Trimethylbenzoyl cloride2,4,6-trimethyl-benzoyl chlorideEINECS 213-339-6NSC 97606UNII-9GTX8DB3BPEC 213-339-62-Mesitylenecarbonyl ChlorideSCHEMBL246394
Database identifiers
- CAS
938-18-1- PubChem CID
- 97038
- DTXSID
DTXSID20239653- UNII
- 9GTX8DB3BP
- EC Number
- 213-339-6
- Nikkaji
- J298.532B
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 167
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Boiling point
- 143 · 143-146 °C (60 mmHg)
- Density
- 1.095 g/mL · 1.095 g/mL at 25 °C
- vapor pressure
- 1.52 Pa · 1.52Pa at 25℃
- refractive index
- 1.528 · 1.528-1.53
- Flash point
- 143 · 143-146°C/60mm
- storage temp.
- 2 · 2-8°C
- form
- Liquid
- color
- Clear light yellow
- Water Solubility
- Reacts slowly with water.
- Sensitive
- Moisture Sensitive
- BRN
- 776108 · 776108
- InChI
- InChI=1S/C10H11ClO/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3
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
H312 (11.2%): Harmful in contact with skin [Warning Acute toxicity, dermal]
P260, P264, P264+P265, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 178 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 26-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5344
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- 1760
- hs_code
- 29163990
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 45-36/37/39-26
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- II
- Hazard statements
Chemistry & industry
Applications
Description2,4,6-Trimethylbenzoyl chloride is an important organic reagent that can be used for the electrochemical reduction reaction to prepare 2,4,6-trimethylbenzaldehyde and tetramer (i.e. 1,2-bis(2,4,6-trimethylphenyl)ethylene-1,2-diol bis(2,4,6-trimethylbenzoate))[1].
Uses2,4,6-Trimethylbenzoyl chloride is used, in the presence of pyridine, to protect OH groups as mesitoate esters.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
69 records
Compound notes
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