1-Bromo-4-tert-butylbenzene

Modify Date: 2026-07-01 17:05:38

1-Bromo-4-tert-butylbenzene Structure
1-Bromo-4-tert-butylbenzene structure
Common Name 1-Bromo-4-tert-butylbenzene
CAS Number 3972-65-4 Molecular Weight 213.11
Density 1.2±0.1 g/cm3 Boiling Point 232.0±9.0 °C at 760 mmHg
Molecular Formula C10H13Br Melting Point 13-16 °C(lit.)
MSDS Chinese USA Flash Point 97.2±0.0 °C

 Use of 1-Bromo-4-tert-butylbenzene


1-Bromo-4-tert-butylbenzene is a biochemical reagent that can be used as a biological material or organic compound for life science related research.

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name 1-Bromo-4-tert-butylbenzene
Synonym More Synonyms

 1-Bromo-4-tert-butylbenzene Biological Activity

This table contains bioactivity, target information and biological‑assay experimental data of this compound.

Description 1-Bromo-4-tert-butylbenzene is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
Related Catalog
In Vitro 1-Bromo-4-tert-butylbenzene 用于合成 4-tert-butyl-phenylboronic acid1、CP-47,497 的 1-deoxy 类似物 (n = 0 to 7) 和 CP-55,940 的 1-deoxy 类似物 (n = 0 到 7)。它在 0°C 下在各种溶剂中与正丁基锂和叔丁基锂进行溴化锂交换反应。

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density 1.2±0.1 g/cm3
Boiling Point 232.0±9.0 °C at 760 mmHg
Melting Point 13-16 °C(lit.)
Molecular Formula C10H13Br
Molecular Weight 213.11
Flash Point 97.2±0.0 °C
Exact Mass 212.020050
LogP 4.68
Vapour Pressure 0.1±0.4 mmHg at 25°C
Index of Refraction 1.519
InChIKey XHCAGOVGSDHHNP-UHFFFAOYSA-N
SMILES CC(C)(C)c1ccc(Br)cc1

 MSDS

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

 Safety Information

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Personal Protective Equipment Eyeshields;Gloves
Hazard Codes Xi:Irritant;
Risk Phrases R36/37/38
Safety Phrases S23-S24/25-S37/39-S26
RIDADR NONH for all modes of transport
WGK Germany 3
HS Code 29036990

 Synthetic Route

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

 Customs

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code 2903999090
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%

 Articles3

More Articles

This table lists relevant public references with title, journal and publication metadata for this compound.

Synthesis and pharmacology of 1-deoxy analogs of CP-47,497 and CP-55,940.

Bioorg. Med. Chem. 16 , 322-35, (2008)

A series of 1-deoxy analogs of CP-47,497 (8 and 13, n=0-7) and 1-deoxy analogs of CP-55,940 (9, n=0-7) have been synthesized and their affinities for the cannabinoid CB(1) and CB(2) receptors have bee...

Effect of solvent on the lithium-bromine exchange of aryl bromides: reactions of n-butyllithium and tert-butyllithium with 1-bromo-4-tert-butylbenzene at 0 degrees C.

J. Org. Chem. 71(7) , 2825-8, (2006)

The outcome of reactions of 1-bromo-4-tert-butylbenzene (1), a representative aryl bromide, with n-BuLi or t-BuLi at 0 degrees C in a variety of solvent systems has been investigated. The products of ...

Novel non-symmetric nickel-diimine complexes for the homopolymerization of ethene: Control of branching by catalyst design. Schmid M, et al.

Z. Naturforsch. B 57(10) , 1141-46, (2002)

 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

p-Bromo-tert-butylbenzene
4-tert-Butylbromobenzene
MFCD00000108
1-Bromo-4-(2-methyl-2-propanyl)benzene
p-Bromo-t-butylbenzene
p-tert-butyl bromo benzene
1-Bromo-4-tert-butylbenzene
4-bromo-1-tert-butylbenzene
1-Bromo-4-(tert-butyl)benzene
EINECS 223-599-2
Butylbromobenzene
1-BROMO-p-t-BUTYLBENZENE
4-Bromo-tert-butylbenzene
4-t-Butylbromobenzene

 1-Bromo-4-tert-butylbenzene | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the SMILES notation of 1-Bromo-4-tert-butylbenzene?
A: SMILES notation of 1-Bromo-4-tert-butylbenzene is CC(C)(C)c1ccc(Br)cc1.
Q: What is the LogP of 1-Bromo-4-tert-butylbenzene?
A: LogP of 1-Bromo-4-tert-butylbenzene is 4.68.
Q: What is the CAS number of 1-Bromo-4-tert-butylbenzene?
A: CAS number of 1-Bromo-4-tert-butylbenzene is 3972-65-4.
Q: What is the molecular weight of 1-Bromo-4-tert-butylbenzene?
A: Molecular weight of 1-Bromo-4-tert-butylbenzene is 213.11.
Q: What are the uses of 1-Bromo-4-tert-butylbenzene?
A: Main uses of 1-Bromo-4-tert-butylbenzene: 1-Bromo-4-tert-butylbenzene is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
Q: What is the molecular formula of 1-Bromo-4-tert-butylbenzene?
A: Molecular formula of 1-Bromo-4-tert-butylbenzene is C10H13Br.
Q: What is the English name of 1-Bromo-4-tert-butylbenzene?
A: The English name of 1-Bromo-4-tert-butylbenzene is 1-Bromo-4-tert-butylbenzene.
Q: What is the safety information for 1-Bromo-4-tert-butylbenzene?
A: Safety information for 1-Bromo-4-tert-butylbenzene: S23-S24/25-S37/39-S26.
Q: What English synonyms does 1-Bromo-4-tert-butylbenzene have?
A: English synonyms of 1-Bromo-4-tert-butylbenzene: p-Bromo-tert-butylbenzene, 4-tert-Butylbromobenzene, MFCD00000108, 1-Bromo-4-(2-methyl-2-propanyl)benzene, p-Bromo-t-butylbenzene, p-tert-butyl bromo benzene, 1-Bromo-4-tert-butylbenzene, 4-bromo-1-tert-butylbenzene, 1-Bromo-4-(tert-butyl)benzene, EINECS 223-599-2, Butylbromobenzene, 1-BROMO-p-t-BUTYLBENZENE, 4-Bromo-tert-butylbenzene, 4-t-Butylbromobenzene.
Q: What is the boiling point of 1-Bromo-4-tert-butylbenzene?
A: Boiling point of 1-Bromo-4-tert-butylbenzene is 232.0±9.0 °C at 760 mmHg.

 1-Bromo-4-tert-butylbenzenefactory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
Henan Tianfu Chemical Co., Ltd.
Zhongshan Xingrui Chemical Co. , Ltd.
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