2-Chlorotrityl chloride

HCID 94524CAS 42074-68-0
Substructure searchFind similar structures

Basic information

Standard SMILES
Clc1ccccc1C(Cl)(c1ccccc1)c1ccccc1
InChIKey
JFLSOKIMYBSASW-UHFFFAOYSA-N
Molecular formula
C19H14Cl2
Average molar mass
313.2 g/mol
Monoisotopic mass
312.04725581

Overview

structure given in first source

Names & identifiers

Preferred name
2-Chlorotrityl chloride
IUPAC
1-chloro-2-[chloro(diphenyl)methyl]benzene
English name
2-Chlorotrityl chloride
Molecular formula
C19H14Cl2
Molecular weight
313.22

Names & synonyms

2-Chlorotrityl chloride42074-68-02-Chlorophenyldiphenylmethyl ChlorideGG3RF829XLDTXSID60194914RefChem:470492DTXCID00117405255-647-32-Chlorotrityl Chloride Resin(Chloro(2-chlorophenyl)methylene)dibenzene934816-82-71-Chloro-2-(chlorodiphenylmethyl)benzene
Show more names
CTC resin2-CHLOROTRITYL RESIN2CTC Resin2-CHLOROTRITYLCHLORIDE POLYMER RESINCL-TRT(2-CL)-RESIN2-Chlorotriphenylmethyl chloride resin
Clotrimazole EP Impurity C1-chloro-2-[chloro(diphenyl)methyl]benzene2-Chlorotritylchloride(2-Chlorophenyl)diphenylmethyl ChlorideMFCD00040399Chlorotrityl chlorideChloro(2-chlorophenyl)diphenylmethaneMFCD00161760

Database identifiers

CAS
42074-68-0
PubChem CID
94524
DTXSID
DTXSID60194914
UNII
GG3RF829XL
EC Number
255-647-3、944-192-2
Nikkaji
J278.322C

Properties

Computed structural properties

XLogP
6.2
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
3
Heavy atoms
21

Physicochemical properties

Melting point
130 · 130-135 °C
Boiling point
421.3 · 421.3±40.0 °C(Predicted)
Density
1.222 · 1.222±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
solubility
Soluble in Chloroform, methanol and dichloromethane, insoluble in water
form
Powder

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H290 (93.8%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P390, and P406 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

Hazard information

Regulatory InformationStatus: Active Update: 27-10-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/17094
Hazard Classes and Categories · 2 items

Met. Corr. 1 (93.8%)

Skin Irrit. 2 (100%)

Safety data

F
10-21
PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
ridadr
3261
hs_code
2903 99 80
risk_code
36/37/38

Chemistry & industry

Applications · 1 item

Uses2-Chlorotrityl chloride is used as an intermediate of clotrimazole. It is also used in the preparation of modified trityl nucleosides as inhibitors of P. falciparum dUTPase. In addition, it serves as a protecting group reagent for carboxylic acids forming esters.

Preparation methods · 1 item

Preparation2-Chlorotrityl chloride synthesis: It is esterified with 2-Chlorobenzoic acid and ethanol in the presence of sulfuric acid or p-toluenesulfonic acid to generate Ethyl 2-Chlorobenzoate, which is then condensed with phenylmagnesium bromide (Grignard reaction) to obtain (2-Chlorophenyl)diphenylmethanol magnesium salt is hydrolyzed with sulfuric acid to obtain (2-Chlorophenyl)diphenylmethanol, which is then chlorinated with thionyl chloride to obtain the product.

Upstream & downstream products

Downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
河北展药生物科技有限公司15369953316 +8615369953316 · [email protected]

Related reactions

37 records
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Linked notes

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