Cas no 998-93-6 (4-Bromoheptane)

4-Bromoheptane (C?H??Br) is a halogenated alkane commonly utilized as an intermediate in organic synthesis and pharmaceutical manufacturing. Its molecular structure, featuring a bromine atom at the fourth carbon of a heptane chain, makes it a versatile reagent for nucleophilic substitution reactions, such as Grignard or Suzuki couplings. The compound's well-defined reactivity and stability under standard conditions ensure consistent performance in alkylation and cross-coupling processes. With a clear liquid form and moderate volatility, 4-Bromoheptane is easily handled in laboratory settings. Its purity and predictable behavior make it a reliable choice for researchers developing complex organic frameworks or fine chemicals.
4-Bromoheptane structure
4-Bromoheptane structure
Product Name:4-Bromoheptane
CAS No:998-93-6
MF:C7H15Br
MW:179.098001718521
MDL:MFCD00039182
CID:83287
PubChem ID:70460
Update Time:2025-08-05

4-Bromoheptane Chemical and Physical Properties

Names and Identifiers

    • 4-Bromoheptane
    • NS00040565
    • AKOS005216031
    • BS-23227
    • EN300-1914586
    • 998-93-6
    • SCHEMBL1001541
    • MFCD00039182
    • EINECS 213-653-3
    • 4-bromo-heptane
    • 4-Bromoheptane, AldrichCPR
    • CS-0106173
    • FT-0617891
    • DTXSID5061374
    • 4-bromo-heptan
    • Heptane, 4-bromo-
    • SY016752
    • DB-006730
    • G72752
    • DTXCID1049144
    • MDL: MFCD00039182
    • Inchi: 1S/C7H15Br/c1-3-5-7(8)6-4-2/h7H,3-6H2,1-2H3
    • InChI Key: BNUTXEKPXPZAIT-UHFFFAOYSA-N
    • SMILES: BrC(CCC)CCC
    • BRN: 1697144

Computed Properties

  • Exact Mass: 178.03600
  • Monoisotopic Mass: 178.035713
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 4
  • Complexity: 37.7
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3.6

Experimental Properties

  • Color/Form: Not determined
  • Density: 1,14 g/cm3
  • Melting Point: -4.55°C (estimate)
  • Boiling Point: 60-62°C 18mm
  • Flash Point: 40°C
  • Refractive Index: 1.4500
  • Water Partition Coefficient: Miscible with carbon tetrachloride, chloroform and benzene. Immiscible with water.
  • PSA: 0.00000
  • LogP: 3.35010
  • Solubility: Not determined

4-Bromoheptane Security Information

  • Hazardous Material transportation number:UN 1993
  • Hazard Category Code: 10-22
  • Safety Instruction: S23-S24/25
  • Hazardous Material Identification: Xn
  • HazardClass:3
  • PackingGroup:III
  • TSCA:Yes
  • Risk Phrases:R10
  • Packing Group:III

4-Bromoheptane Customs Data

  • HS CODE:2903399090
  • Customs Data:

    China Customs Code:

    2903399090

    Overview:

    2903399090. Fluorination of other acyclic hydrocarbons\Brominated or iodinated derivatives. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:5.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2903399090. brominated,fluorinated or iodinated derivatives of acyclic hydrocarbons. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

4-Bromoheptane Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
B301016-100g
4-Bromoheptane
998-93-6 97%
100g
¥6999.90 2023-09-04
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
B301016-25g
4-Bromoheptane
998-93-6 97%
25g
¥2279.90 2023-09-04
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
B301016-5g
4-Bromoheptane
998-93-6 97%
5g
¥679.90 2023-09-04
TRC
B674125-2.5g
4-Bromoheptane
998-93-6
2.5g
$ 65.00 2022-06-06
TRC
B674125-5g
4-Bromoheptane
998-93-6
5g
$ 121.00 2023-04-18
SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd.
B836874-100g
4-Bromoheptane
998-93-6 97%
100g
3,599.10 2021-05-17
Apollo Scientific
OR2933-5g
4-Bromoheptane
998-93-6 97%
5g
£68.00 2025-02-19
Apollo Scientific
OR2933-25g
4-Bromoheptane
998-93-6 97%
25g
£216.00 2025-02-19
Chemenu
CM343363-5g
4-Bromoheptane
998-93-6 95%+
5g
$*** 2023-04-18
Chemenu
CM343363-25g
4-Bromoheptane
998-93-6 95%+
25g
$338 2022-06-09

Additional information on 4-Bromoheptane

4-Bromoheptane (CAS No. 998-93-6)

4-Bromoheptane is an organic compound with the CAS registry number 998-93-6. It belongs to the class of alkyl bromides, specifically a primary alkyl bromide, and is widely used in various chemical reactions due to its reactivity. The compound is a colorless liquid with a molecular formula of C7H15Br and a molecular weight of 185.07 g/mol. Its IUPAC name is 4-bromohexane, but it is commonly referred to as 4-bromoheptane in scientific literature and industrial applications.

The synthesis of 4-bromoheptane typically involves the reaction of 1-bromohexane with an appropriate alkylating agent or through the bromination of heptane derivatives. The compound is highly reactive due to the presence of the bromine atom, which acts as a good leaving group in nucleophilic substitution reactions. This property makes it a valuable intermediate in organic synthesis, particularly in the preparation of various alcohols, ethers, and esters.

Recent studies have highlighted the role of 4-bromoheptane in polymer chemistry, where it serves as a precursor for the synthesis of novel polymeric materials. Researchers have explored its use in controlled radical polymerization techniques, such as atom transfer radical polymerization (ATRP), to produce polymers with tailored properties. These polymers find applications in drug delivery systems, tissue engineering, and advanced materials.

In addition to its role in polymer synthesis, 4-bromoheptane has been investigated for its potential in catalytic processes. For instance, it has been used as a substrate in organocatalytic reactions, where it undergoes epoxidation and other transformations under mild conditions. These reactions are environmentally friendly and offer a sustainable approach to synthesizing complex molecules.

The physical properties of 4-bromoheptane include a boiling point of approximately 115°C at standard pressure, making it suitable for use in reflux reactions without decomposition. Its density is around 1.2 g/cm3, and it is slightly soluble in water but miscible with most organic solvents such as dichloromethane, diethyl ether, and chloroform.

From an environmental perspective, 4-bromoheptane has been studied for its biodegradation potential. Research indicates that under aerobic conditions, the compound can be effectively degraded by microorganisms, reducing its environmental impact. This makes it a preferable choice over more persistent alkyl halides in certain industrial applications.

In terms of safety data, 4-bromoheptane is classified as irritating to the eyes and skin. Prolonged exposure may cause respiratory irritation, and appropriate protective measures should be taken during handling. However, its acute toxicity is relatively low compared to other alkyl halides.

Recent advancements in analytical techniques have enabled precise determination of 4-bromoheptane concentrations in complex matrices. Techniques such as gas chromatography-mass spectrometry (GC-MS) and high-performance liquid chromatography (HPLC) are now widely used for its quantification in environmental samples and industrial byproducts.

In conclusion, 4-bromoheptane (CAS No. 998-93-6) is a versatile compound with significant applications across various fields of chemistry. Its reactivity, ease of synthesis, and biodegradability make it an attractive candidate for both academic research and industrial processes. As research continues to uncover new uses and improve existing methodologies involving this compound, its importance in modern chemistry is expected to grow further.

Recommended suppliers
Shanghai Pearlk Chemicals Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangsu Xinsu New Materials Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangsu Xinsu New Materials Co., Ltd
Beyond Pharmaceutical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shandong Feiyang Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shandong Feiyang Chemical Co., Ltd
ASIACHEM I&E (JIANGSU) CO., LTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
ASIACHEM I&E (JIANGSU) CO., LTD