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76-83-5 molecular structure
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(chlorodiphenylmethyl)benzene

ChemBase ID: 78377
Molecular Formular: C19H15Cl
Molecular Mass: 278.7754
Monoisotopic Mass: 278.08622816
SMILES and InChIs

SMILES:
ClC(c1ccccc1)(c1ccccc1)c1ccccc1
Canonical SMILES:
ClC(c1ccccc1)(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C19H15Cl/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKey:
JBWKIWSBJXDJDT-UHFFFAOYSA-N

Cite this record

CBID:78377 http://www.chembase.cn/molecule-78377.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(chlorodiphenylmethyl)benzene
IUPAC Traditional name
triphenylmethyl chloride
Synonyms
Triphenylmethyl chloride
Trityl chloride
Chlorotriphenylmethane
(Chloromethanetriyl)tribenzene
1,1',1''-(Chloromethylidyne)tris[benzene]
NSC 435
Chlorotriphenylmethane
1,1',1''-(Chloromethanetriyl)tribenzene
Trityl chloride
Trityl chloride
Triphenylchloromethane
TRIPHENYLMETHYL CHLORIDE
TRIPHENYLCHLOROMETHANE
三苯基甲基氯
氯三苯甲烷
氯代三苯甲烷
三苯基氯甲烷
CAS Number
76-83-5
EC Number
200-986-4
MDL Number
MFCD00000813
Beilstein Number
397363
PubChem SID
162043146
24889652
24900525
PubChem CID
6456
Chemspider ID
17344583
Wikipedia Title
Triphenylmethyl_chloride

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.99297  LogD (pH = 7.4) 5.99297 
Log P 5.99297  Molar Refractivity 86.3625 cm3
Polarizability 33.236782 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
chloroform 0.1g/ml expand Show data source
chloroform: soluble0.1 g/mL, clear expand Show data source
Apperance
Off-White Solid expand Show data source
white to yellow solid expand Show data source
Melting Point
109-112 °C(lit.) expand Show data source
109-112°C expand Show data source
109-113 °C expand Show data source
110°C expand Show data source
110-114°C expand Show data source
111-113°C expand Show data source
112-114°C expand Show data source
Boiling Point
230°C expand Show data source
230°C (at 20mmHg) and 374.3°C (at 760mmHg) expand Show data source
230-235 °C/20 mmHg(lit.) expand Show data source
230-235°C/20mm expand Show data source
230-235°C/20mm expand Show data source
Flash Point
177.9°C expand Show data source
Density
1.141g/cm3 expand Show data source
Storage Condition
2-8°C, Store Under Nitrogen expand Show data source
Refrigerator expand Show data source
Storage Warning
Corrosive/Lachrymatory/Moisture Sensitive/Store under Argon expand Show data source
Moisture Sensitive expand Show data source
RTECS
PA6450000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Nature polluting Nature polluting (N) expand Show data source
UN Number
3261 expand Show data source
UN3261 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
3 expand Show data source
II expand Show data source
Risk Statements
34 expand Show data source
34-50/53 expand Show data source
R:34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
26-36/37/39-45-60-61 expand Show data source
S:26-27/28-36/37/39-46-64 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS09 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314 expand Show data source
H314-H318-H400-H410 expand Show data source
GHS Precautionary statements
P280-P273-P305+P351+P338-P309-P310 expand Show data source
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 3261 8/PG 3 expand Show data source
Purity
≥98% expand Show data source
≥97.0% (AT) expand Show data source
≥97.0% (HPLC) expand Show data source
97% expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Download expand Show data source
Ignition Residue
≤0.2% (as SO4) expand Show data source
Linear Formula
(C6H5)3CCl expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich TRC TRC
MP Biomedicals - 02152175 external link
Crystalline
Purity: 98+%
N-protecting reagent.
MP Biomedicals - 05207858 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - T83801 external link
Application
Protecting reagent for amines, alcohols, and thiols.1,2
Packaging
25, 100, 500 g in poly bottle
Sigma Aldrich - 93000 external link
Other Notes
Reagent for tritylations;; Efficient method of tritylation of sensitive compounds and their subsequent detritylation1,2
Toronto Research Chemicals - T887260 external link
Trityl Chloride is an alkyl halide commonly used in organic synthesis to introduce the trityl protecting group. Trityl Chloride is used in the preparation of S-trityl-L-cysteine (STLC), a tight-binding inhibitor of Eg5 that prevents mitotic progression.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • DeBonis, S. et al.: J. Med. Chem., 51, 1115 (2008)
  • • Chadwick, D.J. et al.: J. Chem. Soc. Perk. Trans. Org. Bio-Org. Chem., 1, 102 (2008)
  • • Reagent for protection of N, S and particularly O functions as trityl (Trt) derivatives, stable to a wide range of conditions, but readily cleaved by mild acid.
  • • For an improved method for O-tritylation in triethylamine in the presence of catalytic amounts of DMAP, see: Tetrahedron Lett., 95 (1979).
  • • Progressively more acid-labile protecting groups contain one, two or three p-methoxy-groups: 4-Methoxytrityl chloride, A10545, 4,4'-Dimethoxytrityl chloride, A11626, and 4,4',4''-Trimethoxytrityl chloride, L00629, respectively.
  • • For a one-pot procedure for the high yield, racemization-free N-tritylation of amino acids, by means of prior in situ O-silylation, see: J. Org. Chem., 47, 1324 (1982). N-Trt- derivatives of amino acids have also been converted to Leuchs' anhydrides by treatment with phosgene or triphosgene, and the products coupled with amino acid esters to give dipeptides in good yields without racemization: J. Org. Chem., 64, 2532 (1999). See also 9-Bromo-9-phenylfluorene, L14225.
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PATENTS

PATENTS

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INTERNET

INTERNET

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