2,4,6-Trimethylbenzoyl chloride (HCID 97038)

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 properties

XLogP: 3.5
Topological polar surface area: 17.1 Å²
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
InChIKey: UKRQMDIFLKHCRO-UHFFFAOYSA-N
SMILES: C(Cl)(=O)C1=C(C)C=C(C)C=C1C
LogP: 2.42 · 2.42-3.65 at 25℃
CAS DataBase Reference: 938 · 938-18-1(CAS DataBase Reference)
FDA UNII: 9 GTX8DB3BP · 9GTX8DB3BP
NIST Chemistry Reference: 2 · 2,4,6-Trimethylbenzoyl chloride(938-18-1)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 280 · P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 45 · 45-36/37/39-26
RIDADR: 1760 · 1760
WGK Germany: 3 · 3
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29163990 · 29163990
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 B · Skin Corr. 1B
REACH Registrations: Active
Limited Quantities: 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

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: H314
Limited Quantities: 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
REACH Registrations: Active
Hazard Classifications: Skin Corr. 1B
Precautionary statements: P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405

Chemistry & industry

Applications · 2 items

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.