Cinnamyl bromide

IUPAC: [(E)-3-bromoprop-1-enyl]benzene

CAS 4392-24-9
C9H9Br

Cinnamyl bromide (CAS 4392-24-9) is a chemical compound with molecular formula C9H9Br and molecular weight 197.07 g/mol . GHS signal word: Danger. Hazard classifications: Corrosive.

What is Cinnamyl bromide?

Molecular Formula
C9H9Br
Molecular Weight
197.07 g/mol

Structure Identifiers

SMILES
C1=CC=C(C=C1)/C=C/CBr
InChI
InChI=1S/C9H9Br/c10-8-4-7-9-5-2-1-3-6-9/h1-7H,8H2/b7-4+
InChIKey
RUROFEVDCUGKHD-QPJJXVBHSA-N

Properties

Computed

Calculated molecular descriptors used in drug design and computational chemistry.

Exact Mass
195.9888 Da
XLogP
3.40
TPSA
0.0 Ų
H-Bond Donors
0
H-Bond Acceptors
0
Complexity
101
Formal Charge
0

Safety information

Signal Word

Danger

GHS Pictograms

GHS pictogram: Corrosive GHS05

Hazard Statements

  • H314 Causes severe skin burns and eye damage

Precautionary Statements

  • P260 Do not breathe dust/fume/gas/mist/vapours/spray
  • P264 Wash thoroughly after handling
  • P280 Wear protective gloves/protective clothing/eye protection/face protection
  • P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting
  • P304+P340 IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
  • P321 Specific treatment (see supplemental first aid instructions on this label)
  • P363 Wash contaminated clothing before reuse
  • P405 Store locked up
  • P501 Dispose of contents/container to an approved waste disposal plant

Synonyms (52)

  • F14018
  • F242265
  • AS-47511
  • LS-13597
  • NSC78446
  • 224-511-5
  • 4392-24-9
  • NSC 78446
  • NSC-78446
  • 26146-77-0
  • CS-0063176
  • CS-0356738
  • NS00048648
  • EN300-343546
  • MFCD00000245
  • AKOS015839134
  • EN300-1246893
  • SCHEMBL625625
  • DTXCID60818744
  • DTXSID60871071
  • RefChem:577221
  • SCHEMBL2582422
  • SCHEMBL28801783
  • Cinnamyl bromide
  • EINECS 224-511-5
  • E-cinnamyl bromide
  • (E)-cinnamyl bromide
  • 3-Phenylallyl bromide
  • trans-Cinnamyl bromide
  • 3-Bromo-1-phenyl propene-1
  • 3-Bromo-1-phenyl-1-propene
  • RUROFEVDCUGKHD-QPJJXVBHSA-
  • [3-Bromo-1-propenyl]benzene
  • 3-phenyl-2-propenyl bromide
  • E-(3-bromo-propenyl)-benzene
  • ((E)-3-bromo-propenyl)-benzene
  • (3-Bromo-1-propen-1-yl)benzene
  • (3-bromoprop-1-en-1-yl)benzene
  • [(E)-3-bromo-1-propenyl]benzene
  • [(E)-3-bromoprop-1-enyl]benzene
  • 3-Bromo-1-phenyl-1-propene, 97%
  • [(1E)-3-Bromo-1-propenyl]benzene
  • [(1E)-3-bromoprop-1-enyl]benzene
  • 3-Bromo-1-phenyl-1-propene purum
  • [(E)-3-bromo-prop-1-enyl]-benzene
  • 1-((E)-3-bromoprop-1-enyl)benzene
  • 1-[(E)-3-bromo-1-propenyl]benzene
  • (E)-(3-Bromoprop-1-en-1-yl)benzene
  • [(1E)-3-bromoprop-1-en-1-yl]benzene
  • Cinnamyl bromide, predominantly trans
Show 2 more names
  • 3-Bromo-1-phenyl-1-propene, purum, >=98.0% (GC)
  • InChI=1/C9H9Br/c10-8-4-7-9-5-2-1-3-6-9/h1-7H,8H2/b7-4+

Frequently asked questions

What is the CAS number of Cinnamyl bromide?

The CAS Registry Number for Cinnamyl bromide is 4392-24-9.

What is the IUPAC name of Cinnamyl bromide?

The IUPAC name of Cinnamyl bromide is [(E)-3-bromoprop-1-enyl]benzene.

What is the molecular formula of Cinnamyl bromide?

Cinnamyl bromide has the molecular formula C9H9Br and a molecular weight of 197.07 g/mol.

What is the SMILES notation for Cinnamyl bromide?

The SMILES notation for Cinnamyl bromide is C1=CC=C(C=C1)/C=C/CBr.

Is Cinnamyl bromide hazardous?

Cinnamyl bromide carries the following GHS hazard classifications: Corrosive. Signal word: Danger.

What are other names for Cinnamyl bromide?

Cinnamyl bromide is also known as ((E)-3-bromo-propenyl)-benzene, (3-Bromo-1-propen-1-yl)benzene, (3-bromoprop-1-en-1-yl)benzene, (E)-(3-Bromoprop-1-en-1-yl)benzene, (E)-cinnamyl bromide.

Data sourced from PubChem CID 5357478. Last updated .

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