[ CAS No. 81-29-8 ] {[proInfo.proName]}

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2D 3D

Structure of 81-29-8 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 81-29-8 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 81-29-8 ]

Product Details of [ 81-29-8 ]

CAS No. :	81-29-8	MDL No. :	MFCD00021661
Formula :	C₁₆H₆Cl₄	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	-
M.W :	340.03	Pubchem ID :	-
Synonyms :

Safety of [ 81-29-8 ]

Signal Word:		Class:
Precautionary Statements:		UN#:
Hazard Statements:		Packing Group:

Application In Synthesis of [ 81-29-8 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Upstream synthesis route of [ 81-29-8 ]
Downstream synthetic route of [ 81-29-8 ]

[ 81-29-8 ] Synthesis Path-Upstream 1~1

1
[ 81-29-8 ]
[ 81-30-1 ]

Reference： [1] Patent: US2009596, 1933, ,
[2] Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 20, p. 1433

[ 81-29-8 ] Synthesis Path-Downstream 1~4

1
[ 81-29-8 ]
[ 71-43-2 ]
[ 13638-82-9 ]

Yield	Reaction Conditions	Operation in experiment
	With aluminium trichloride at 70℃;

Reference： [1]Vollmann et al. [Justus Liebigs Annalen der Chemie, 1937, vol. 531, p. 1,46, 124]

2
[ 7446-70-0 ]
[ 81-29-8 ]
[ 71-43-2 ]
[ 13638-82-9 ]

Reference： [1]Vollmann et al. [Justus Liebigs Annalen der Chemie, 1937, vol. 531, p. 1,46, 124]

3
di-tert-butyl-trimethylsilanylmethyl-phosphine [ No CAS ]
[ 60-29-7 ]
[ 81-29-8 ]
[ 177171-16-3 ]
1,3,6,8-tetrakis-(3-trimethylsilyl-phenyl)-pyrene [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With caesium carbonate;tris-(dibenzylideneacetone)dipalladium(0); In 1,4-dioxane; water; Petroleum ether;	Example 2 1,3,6,8-Tetrakis-(3-trimethylsilyl-phenyl)-pyrene 1,3,6,8-Tetrachloro-pyrene (4.38 g, 0.0129 mol), <strong>[177171-16-3]3-trimethylsilylphenylboronic acid</strong> (15.0 g, 0.0773 mol), tris(dibenzylideneacetone)dipalladium(0) (1.77 g, 0.00193 mol), di-tert-butyl-trimethylsilylmethyl-phosphane (1.08 g, 0.0047 mol), cesium carbonate (25.17 g, 0.0773 mol) and dioxane (100 ml) were stirred at room temperature for 24 hours. The resultant mixture was poured into 200 ml of water and extracted twice with 200 ml of methylene chloride. The organic phase was dried over magnesium sulfate overnight and filtered. The solvent was removed on a roto-evaporator and the residue was purified by chromatography on silica gel using petroleum ether/ethyl ether (10/0.5) as eluent. Yield of 1,3,6,8-tetrakis-(3-trimethylsilyl-phenyl)-pyrene was 1.30 g (12.68%) as a yellow solid with no m.p. below 250 C. 1H NMR (CD2Cl2) 0.20 (s., 36H, Me), 7.40-8.20 (br., 28H, arom-H). LC/MS: exact mass calculated for C52H58Si4: 794.36. Found: 794.36.

Reference： [1]Patent: US2005/238910,2005,A1

4
[ 153254-09-2 ]
[ 52409-22-0 ]
di-tert-butyl-trimethylsilanylmethyl-phosphine [ No CAS ]
[ 81-29-8 ]
[ 868555-70-8 ]

Yield	Reaction Conditions	Operation in experiment
	With caesium carbonate; In 1,4-dioxane; water;	Example 2 1,3,6,8-Tetrakis-(2,4-bis-trifluoromethyl-phenyl)-pyrene 3.95 g (0.0116 mol) of 1,3,6,8-tetrachloro-pyrene, 15.0 g (0.0582 mol) of <strong>[153254-09-2]2,4-bis(trifluoromethyl)phenylboronic acid</strong>, 1.33 g (0.00145 mol) of tris(dibenzylideneacetone) dipalladium (0), 0.64 g (0.00276 mol) of di-tert-butyl-trimethylsilylmethyl-phosphane, 18.95 g (0.0582 mol) of cesium carbonate and 100 ml of dioxane were stirred at room temperature for 24 hours. The resultant mixture was poured into 200 ml of water and extracted twice with 200 ml of methylene chloride. The organic phase was dried over magnesium sulfate overnight and filtered. The solvent was removed on a roto-evaporator and the residue was purified by chromatography on silica gel with petroleum ether/ethyl ether (10/0.5) as eluent. Yield of 1,3,6,8-tetrakis-(2,4-bis-trifluoromethyl-phenyl)-pyrene: 1.08 g (8.85%) as a white solid with m.p. 290.00 C. 1H NMR (CDCl3) 7.45-8.30 (multiplets, 18H, arom-H). 19F NMR (CDCl3) -59.16, -63.27. The structure was confirmed by X-ray analysis.

Reference： [1]Patent: US2005/244645,2005,A1

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Application In Synthesis of [ 81-29-8 ]

Ghs Precautionary Statements

Precautionary Statements-General
Code	Phrase
P101	If medical advice is needed,have product container or label at hand.
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P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
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P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
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H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
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H223	Flammable aerosol
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H230	May react explosively even in the absence of air
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H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
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H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
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H310	Fatal in contact with skin
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Code	Phrase
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H401	Toxic to aquatic life
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H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 81-29-8 ] {[proInfo.proName]}

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[ 81-29-8 ] Synthesis Path-Upstream 1~1

[ 81-29-8 ] Synthesis Path-Downstream 1~4

Precautionary Statements-General

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