Benzene,2-bromo-1,3,5-tris(1,1-dimethylethyl)
Benzene,2-bromo-1,3,5-tris(1,1-dimethylethyl) structure
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Common Name | Benzene,2-bromo-1,3,5-tris(1,1-dimethylethyl) | ||
|---|---|---|---|---|
| CAS Number | 3975-77-7 | Molecular Weight | 325.32700 | |
| Density | 1.064g/cm3 | Boiling Point | 299.7ºC at 760mmHg | |
| Molecular Formula | C18H29Br | Melting Point | 168-173ºC(lit.) | |
| MSDS | Chinese USA | Flash Point | 123.7ºC | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-Bromo-1,3,5-tri-tert-butylbenzene |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.064g/cm3 |
|---|---|
| Boiling Point | 299.7ºC at 760mmHg |
| Melting Point | 168-173ºC(lit.) |
| Molecular Formula | C18H29Br |
| Molecular Weight | 325.32700 |
| Flash Point | 123.7ºC |
| Exact Mass | 324.14500 |
| LogP | 6.34160 |
| Index of Refraction | 1.494 |
| InChIKey | JOKZWHPYNRDCOA-UHFFFAOYSA-N |
| SMILES | CC(C)(C)c1cc(C(C)(C)C)c(Br)c(C(C)(C)C)c1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xi: Irritant; |
| Risk Phrases | 36/37/38 |
| Safety Phrases | 26-36 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| HS Code | 2903999090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~65%
Benzene,2-bromo... CAS#:3975-77-7 |
| Literature: Look, Kai; Norris, Robert K. Australian Journal of Chemistry, 1999 , vol. 52, # 11 p. 1077 - 1083 |
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~56%
Benzene,2-bromo... CAS#:3975-77-7 |
| Literature: Davis, Franklin A.; Jenkins, Robert H.; Rizvi, Syed Q. A.; Yocklovich, Steven G. Journal of Organic Chemistry, 1981 , vol. 46, # 17 p. 3467 - 3474 |
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~%
Benzene,2-bromo... CAS#:3975-77-7
Learn More
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| Literature: Weiss, H.; Oehme, H. Zeitschrift fuer Anorganische und Allgemeine Chemie, 1989 , vol. 572, p. 186 - 191 |
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~%
Benzene,2-bromo... CAS#:3975-77-7 |
| Literature: Yoshifuji, Masaaki; Shima, Ichiro; Shibayama, Katsuhiro; Inamoto, Naoki Tetrahedron Letters, 1984 , vol. 25, # 4 p. 411 - 414 |
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~%
Benzene,2-bromo... CAS#:3975-77-7 |
| Literature: Betts; Barclay Canadian Journal of Chemistry, 1955 , vol. 33, p. 1768,1769 |
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~%
Benzene,2-bromo... CAS#:3975-77-7 |
| Literature: Yoshifuji, Masaaki; Shima, Ichiro; Shibayama, Katsuhiro; Inamoto, Naoki Tetrahedron Letters, 1984 , vol. 25, # 4 p. 411 - 414 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 6 | |
|---|---|
| DownStream 9 | |
![1,3,5-tritert-butyl-2-[(2,4,6-tritert-butylphenyl)disulfanyl]benzene structure](https://image.chemsrc.com/caspic/388/19715-27-6.png)
CAS#:19715-27-6
CAS#:1461-23-0
CAS#:159539-19-2
CAS#:31039-82-4
CAS#:73557-52-5
CAS#:102737-67-7
CAS#:66415-27-8This 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% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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A new biarylphosphine ligand for the Pd-catalyzed synthesis of diaryl ethers under mild conditions.
Org. Lett. 14(1) , 170-3, (2012) A new bulky biarylphosphine ligand (L8) has been developed that allows the Pd-catalyzed C-O cross-coupling of a wide range of aryl halides and phenols under milder conditions than previously possible.... |
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Palladium(0)-catalyzed intermolecular amination of unactivated C(sp³)-H bonds.
Angew. Chem. Int. Ed. Engl. 50(37) , 8647-51, (2011)
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Rationalizing oligomerization in dimethylindium(III) chalcogenolates (Me2InER') (E = O, S, Se): a structural and computational study.
Dalton Trans. 39(16) , 3833-41, (2010) The effect on oligomerization of increased steric bulk in dimethylindium(III) chalcogenolates (Me(2)InER') (E = O, S, Se) has been examined. The facile reaction of Me(3)In with a series of phenols, th... |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-bromo-1,3,5-tritert-butylbenzene |
| MFCD00191861 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular formula of 2-Bromo-1,3,5-tri-tert-butylbenzene? |
| A: Molecular formula of 2-Bromo-1,3,5-tri-tert-butylbenzene is C18H29Br. |
| Q: What are the downstream products of 2-Bromo-1,3,5-tri-tert-butylbenzene? |
| A: Related downstream products(CAS) of 2-Bromo-1,3,5-tri-tert-butylbenzene: 19715-27-6;1460-02-2;1461-23-0;159539-19-2;35383-91-6;31039-82-4;73557-52-5;102737-67-7;66415-27-8. |
| Q: What is the molecular weight of 2-Bromo-1,3,5-tri-tert-butylbenzene? |
| A: Molecular weight of 2-Bromo-1,3,5-tri-tert-butylbenzene is 325.32700. |
| Q: What is the LogP of 2-Bromo-1,3,5-tri-tert-butylbenzene? |
| A: LogP of 2-Bromo-1,3,5-tri-tert-butylbenzene is 6.34160. |
| Q: What is the SMILES notation of 2-Bromo-1,3,5-tri-tert-butylbenzene? |
| A: SMILES notation of 2-Bromo-1,3,5-tri-tert-butylbenzene is CC(C)(C)c1cc(C(C)(C)C)c(Br)c(C(C)(C)C)c1. |
| Q: What is the InChIKey of 2-Bromo-1,3,5-tri-tert-butylbenzene? |
| A: InChIKey of 2-Bromo-1,3,5-tri-tert-butylbenzene is JOKZWHPYNRDCOA-UHFFFAOYSA-N. |
| Q: What is the CAS number of 2-Bromo-1,3,5-tri-tert-butylbenzene? |
| A: CAS number of 2-Bromo-1,3,5-tri-tert-butylbenzene is 3975-77-7. |
| Q: What are the upstream materials of 2-Bromo-1,3,5-tri-tert-butylbenzene? |
| A: Related upstream materials(CAS) of 2-Bromo-1,3,5-tri-tert-butylbenzene: 1460-02-2;40782-34-1;35383-91-6;13465-74-2;83466-54-0;961-38-6. |
| Q: What is the melting point of 2-Bromo-1,3,5-tri-tert-butylbenzene? |
| A: Melting point of 2-Bromo-1,3,5-tri-tert-butylbenzene is 168-173ºC(lit.). |
| Q: What is the boiling point of 2-Bromo-1,3,5-tri-tert-butylbenzene? |
| A: Boiling point of 2-Bromo-1,3,5-tri-tert-butylbenzene is 299.7ºC at 760mmHg. |
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. |