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1-(2-Bromoethyl)-3-nitrobenzene is a chemical compound with the molecular formula C8H8BrNO2. It is a nitrobenzene derivative that contains a bromoethyl group attached to the benzene ring. 1-(2-Bromoethyl)-3-nitrobenzene is known for its diverse reactivity and can undergo various chemical reactions such as nucleophilic substitution and reduction, making it a versatile molecule in organic chemistry.

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  • 16799-04-5 Structure
  • Basic information

    1. Product Name: 1-(2-Bromoethyl)-3-nitrobenzene
    2. Synonyms: 1-(2-Bromoethyl)-3-nitrobenzene;3-Nitrophenethyl bromide;Benzene, 1-(2-broMoethyl)-3-nitro-;3-Nitrophenethyl broMide 97%
    3. CAS NO:16799-04-5
    4. Molecular Formula: C8H8BrNO2
    5. Molecular Weight: 230.06
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 16799-04-5.mol
  • Chemical Properties

    1. Melting Point: 30-34 °C
    2. Boiling Point: 136-138 °C/0.5 mmHg
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 1.562±0.06 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 1-(2-Bromoethyl)-3-nitrobenzene(CAS DataBase Reference)
    10. NIST Chemistry Reference: 1-(2-Bromoethyl)-3-nitrobenzene(16799-04-5)
    11. EPA Substance Registry System: 1-(2-Bromoethyl)-3-nitrobenzene(16799-04-5)
  • Safety Data

    1. Hazard Codes: Xn
    2. Statements: 22-36-43
    3. Safety Statements: 26-36/37
    4. WGK Germany: 3
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 16799-04-5(Hazardous Substances Data)

16799-04-5 Usage

Uses

Used in Pharmaceutical Industry:
1-(2-Bromoethyl)-3-nitrobenzene is used as an intermediate in the synthesis of various pharmaceuticals. Its unique structure and reactivity make it a valuable building block for the development of new drugs and medicinal compounds.
Used in Agrochemical Industry:
In the agrochemical industry, 1-(2-Bromoethyl)-3-nitrobenzene is utilized as an intermediate for the synthesis of various agrochemicals, including pesticides and herbicides. Its chemical properties allow for the creation of effective and targeted agricultural products.
Used in Dye Industry:
1-(2-Bromoethyl)-3-nitrobenzene is also used in the dye industry for the synthesis of various dyes. Its ability to undergo different chemical reactions enables the production of a wide range of colors and properties in dyes.
Used in Organic Synthesis:
As a building block in organic synthesis, 1-(2-Bromoethyl)-3-nitrobenzene is employed for the preparation of more complex compounds. Its versatility in undergoing various reactions makes it an essential component in the synthesis of advanced organic molecules.
It is important to handle 1-(2-Bromoethyl)-3-nitrobenzene with caution due to its toxic and potentially harmful nature. Proper safety measures should be taken to minimize health and safety hazards during its use in various applications.

Check Digit Verification of cas no

The CAS Registry Mumber 16799-04-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,6,7,9 and 9 respectively; the second part has 2 digits, 0 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 16799-04:
(7*1)+(6*6)+(5*7)+(4*9)+(3*9)+(2*0)+(1*4)=145
145 % 10 = 5
So 16799-04-5 is a valid CAS Registry Number.

16799-04-5 Well-known Company Product Price

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  • Aldrich

  • (691984)  3-Nitrophenethylbromide  97%

  • 16799-04-5

  • 691984-1G

  • 569.79CNY

  • Detail
  • Aldrich

  • (691984)  3-Nitrophenethylbromide  97%

  • 16799-04-5

  • 691984-5G

  • 1,869.66CNY

  • Detail

16799-04-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-(2-Bromoethyl)-3-nitrobenzene

1.2 Other means of identification

Product number -
Other names m-nitrophenethyl bromide

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:16799-04-5 SDS

16799-04-5Relevant articles and documents

PYRROLOPYRIMIDINE DERIVATIVES USEFUL AS MODULATORS OF MULTIDRUG RESISTANCE

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Page 48, (2010/02/07)

A compound which is a pyrrolopyrimidine of formula (I) wherein: R1 is selected from R9 and halogen; R2 is NR6R7; R3 is selected from H, C1-C6 alkyl which is unsubstituted or substituted and -(CH2) nAr; R4 is selected from H, C1-C6 alkyl and -(CH2)? Ar; or R3 and R4 form, together with the N and C atoms to which they are attached, a fused five-, six-, seven- or eight-membered N-containing saturated ring which is unsubstituted or substituted; R5 is selected from CN, C02R9,C(O)NR10R11, -(CH2)nOH, -(CH2)nR10Rn, -C=CH, -C(S)NR10R11, -C(NH2)=NOR9, -C(R9)=NOR9, -C(NH2)NH, -C(O)R9 and an unsaturated 5- or 6-membered heterocyclic group which contains 1, 2 or 3 heteroatoms selected from N, O and S and which is unsubstituted or substituted; R6 and R7, which are the same or different, are selected from C1-C6 alkyl which is unsubstituted or substituted, -(CH2)nX and -(CH2)nAr; or R6 and R7 form, together with the nitrogen atom to which they are attached, a saturated five-, six-, seven- or eight-membered heterocyclic group which contains one nitrogen atom and 0 or from 1 to 3 additional heteroatoms selected from N, O and S, which is unsubstituted or substituted and which optionally contains one or two bridgehead atoms; R10and R11,which are the same or different, are selected from H, C1-C6 alkyl which is unsubstituted or substituted, -(CH2)nC3-C10 cycloalkyl and -(CH2)nAr; or R10 and R11 form, together with the nitrogen atom to which they are attached, a saturated five or six membered heterocyclic group which contains a nitrogen atom and 0 or from to 3 additional heteroatoms selected from O, S and N, which is unsubstituted or substituted and which is optionally fused to a benzene ring which is unsubstituted or substituted; n is the same or different when more than one is present within a given substituent group and is 0 or an integer of from 1 to 6; X is selected from -CN, -C02R9 and -NR10R11; R9 is the same or different when more than one is present within a given substituent group and is selected from -H, -QAr, -(CH2) nAr, C1-C6 alkyl which is unsubstituted or substituted and -(CH2) nC3-C10cycloalkyl, wherein the cycloalkyl moiety is optionally fused to a benzene ring which is unsubstituted or substituted; Q is C2-C6 alkenylene or alkynylene; and Ar is an unsaturated C6-C10 membered carbocyclic group or an unsaturated 5-11 membered heterocyclic group, which groups are unsubstituted or substituted; or a pharmaceutically acceptable salt thereof. These compounds have activity as inhibitors of MRP (multidrug resistant protein) and may thus be used to modulate multidrug resistance, for instance in potentiating the cytotoxicity of a chemotherapeutic agent.

Aniline derivatives possessing an inhibitory effect of nitric oxide synthase

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, (2008/06/13)

Compounds represented by the general formula (1): ? (where R1is SR6or NR7R8, where R6is typically an alkyl group having 1-6 carbon atoms, R7is a hydrogen atom, an alkyl group having 1-6 carbon atoms or a nitro group, and R8is a hydrogen atom or an alkyl group having 1-6 carbon atoms; R2and R3are each typically a hydrogen atom or an alkyl group having 1-6 carbon atoms; R4is a hydrogen atom, an alkyl group having 1-6 carbon atoms or an amidino group of which the amine portion may be substituted by an alkyl or nitro group; R5is a hydrogen atom or an alkyl group having 1-6 carbon atoms; Y1, Y2, Y3and Y4which may be the same or different are each typically a hydrogen atom, a halogen atom or an alkoxy group having 1-6 carbon atoms; n and m are each an integer of 0 or 1), or possible stereoisomers or optically active forms of the compounds or pharmaceutically acceptable salts thereof. The compounds possess a potent nitric oxide synthase inhibiting activity and are useful as therapeutics of cerebrovascular diseases.

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