Cas no 78751-80-1 (2-Bromo-7-tert-butylpyrene)

2-Bromo-7-tert-butylpyrene is a brominated pyrene derivative featuring a tert-butyl substituent at the 7-position. This compound is primarily utilized as an intermediate in organic synthesis, particularly in the development of polycyclic aromatic hydrocarbon (PAH)-based materials. The bromine moiety enhances reactivity for cross-coupling reactions, such as Suzuki or Sonogashira couplings, enabling the construction of complex molecular architectures. The tert-butyl group improves solubility in organic solvents, facilitating purification and handling. Its structural properties make it valuable in materials science, including the design of organic semiconductors, fluorescent probes, and liquid crystals. The compound’s well-defined reactivity and stability under standard conditions contribute to its utility in research and industrial applications.

2-Bromo-7-tert-butylpyrene structure

Product Name:2-Bromo-7-tert-butylpyrene

CAS No:78751-80-1

MF:C₂₀H₁₇Br

MW:337.252984762192

MDL:MFCD23143151

CID:866776

PubChem ID:160871413

Update Time:2025-05-27

2-Bromo-7-tert-butylpyrene Chemical and Physical Properties

Names and Identifiers

- 2-Bromo-7-tert-butylpyrene
- 2-Bromo-7-(tert-butyl)pyrene
- AX8283987
- B3957
- AS-58843
- DTXSID00743985
- 78751-80-1
- AKOS022186732
- T71337
- MFCD23143151
- SCHEMBL15169264
- 2-bromo-7-(t-butyl)pyrene
- MDL： MFCD23143151
- Inchi： 1S/C20H17Br/c1-20(2,3)16-8-12-4-6-14-10-17(21)11-15-7-5-13(9-16)18(12)19(14)15/h4-11H,1-3H3
- InChI Key： RYLYZVOQPGVCQT-UHFFFAOYSA-N
- SMILES： BrC1C=C2C=CC3=CC(=CC4C=CC(C=1)=C2C=43)C(C)(C)C

Computed Properties

Exact Mass: 336.05100
Monoisotopic Mass: 336.05136g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 0
Heavy Atom Count: 21
Rotatable Bond Count: 1
Complexity: 367
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Topological Polar Surface Area: 0
XLogP3: 7.4

Experimental Properties

Density: 1.4±0.1 g/cm3
Melting Point: 150.0 to 154.0 deg-C
Boiling Point: 451.2±14.0 °C at 760 mmHg
Flash Point: 221.4±14.5 °C
PSA: 0.00000
LogP: 6.64400
Vapor Pressure: 0.0±1.1 mmHg at 25°C

2-Bromo-7-tert-butylpyrene Security Information

Signal Word：warning
Hazard Statement： H303 may be harmful by ingestion +h313 may be harmful by skin contact +h1106 may be harmful by inhalation
Warning Statement： P264+P280+P305+P351+P338+P337+P108
Safety Instruction： H303+H313+H110
Storage Condition：4° CStore…,-4℃Store…Better

2-Bromo-7-tert-butylpyrene Customs Data

HS CODE：2903999090
Customs Data：

China Customs Code:
2903999090

Overview:

2903999090 Other aromatic halogenated derivatives. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

Declaration elements:

Product Name, component content, use to

Summary:

2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

2-Bromo-7-tert-butylpyrene Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
SHANG HAI XIAN DING Biotechnology Co., Ltd.	B3957-1g	2-Bromo-7-tert-butylpyrene	78751-80-1	98.0%(GC)	1g	￥2190.0	2022-05-30
SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd.	B869930-200mg	2-Bromo-7-tert-butylpyrene	78751-80-1	98%	200mg	￥942.00	2022-09-29
Chemenu	CM194581-5g	2-bromo-7-(tert-butyl)pyrene	78751-80-1	95%	5g	$596	2021-08-05
TRC	B678910-10mg	2-Bromo-7-tert-butylpyrene	78751-80-1		10mg	$ 50.00	2022-06-06
TRC	B678910-50mg	2-Bromo-7-tert-butylpyrene	78751-80-1		50mg	$ 65.00	2022-06-06
TRC	B678910-100mg	2-Bromo-7-tert-butylpyrene	78751-80-1		100mg	$ 80.00	2022-06-06
TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd.	B3957-1G	2-Bromo-7-tert-butylpyrene	78751-80-1	>98.0%(GC)	1g	￥2080.00	2024-04-16
eNovation Chemicals LLC	D755472-200mg	2-BroMo-7-tert-butylpyrene	78751-80-1	98.0%	200mg	$150	2024-06-06
eNovation Chemicals LLC	D755472-1g	2-BroMo-7-tert-butylpyrene	78751-80-1	98.0%	1g	$425	2023-05-17
SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd.	B869930-1g	2-Bromo-7-tert-butylpyrene	78751-80-1	98%	1g	￥1,298.00	2022-01-11

2-Bromo-7-tert-butylpyrene Suppliers

Amadis Chemical Company Limited

Gold Member

Audited Supplier

(CAS:78751-80-1)2-Bromo-7-tert-butylpyrene

Order Number:A961920

Stock Status:in Stock

Quantity:1g

Purity:99%

Pricing Information Last Updated:Friday, 30 August 2024 16:13

Price ($):261.0

Email:[email protected]

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