1,3-Dibromo(~13~C_3_)propan-2-one
IUPAC: 1,3-dibromo(1,2,3-13C3)propan-2-one
Plain text
Chemfused. (2026). 1,3-Dibromo(~13~C_3_)propan-2-one, CAS 1313734-85-8. Retrieved 2026-04-28 from https://chemfused.com/cas/1313734-85-8
BibTeX
@misc{chemfused-cas-1313734858,
title = {1,3-Dibromo(~13~C_3_)propan-2-one, CAS 1313734-85-8},
author = {Chemfused},
year = {2026},
url = {https://chemfused.com/cas/1313734-85-8},
urldate = {2026-04-28}
}
1,3-Dibromo(~13~C_3_)propan-2-one (CAS 1313734-85-8) is a chemical compound with molecular formula C3H4Br2O and molecular weight 218.85 g/mol . GHS signal word: Danger. Hazard classifications: Corrosive, Health Hazard.
What is 1,3-Dibromo(~13~C_3_)propan-2-one?
- Molecular Formula
- C3H4Br2O
- Molecular Weight
- 218.85 g/mol
Structure Identifiers
- SMILES
- [13CH2]([13C](=O)[13CH2]Br)Br
- InChI
- InChI=1S/C3H4Br2O/c4-1-3(6)2-5/h1-2H2/i1+1,2+1,3+1
- InChIKey
- LQQKDSXCDXHLLF-VMIGTVKRSA-N
Properties
Computed
Calculated molecular descriptors used in drug design and computational chemistry.
- Exact Mass
- 218.8709 Da
- XLogP
- 1.50
- TPSA
- 17.1 Ų
- H-Bond Donors
- 0
- H-Bond Acceptors
- 1
- Complexity
- 47
- Formal Charge
- 0
Safety information
Signal Word
GHS Pictograms
GHS05
GHS07
Hazard Statements
- H302 Harmful if swallowed
Precautionary Statements
- P260 Do not breathe dust/fume/gas/mist/vapours/spray
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray
- P264 Wash thoroughly after handling
- P270 Do not eat, drink or smoke when using this product
- P272 Contaminated work clothing should not be allowed out of the workplace
- P280 Wear protective gloves/protective clothing/eye protection/face protection
- P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting
- P302+P352 IF ON SKIN: Wash with soap and water
- 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)
- P330 Rinse mouth
- P363 Wash contaminated clothing before reuse
- P405 Store locked up
- P501 Dispose of contents/container to an approved waste disposal plant
Synonyms (6)
- 1313734-85-8
- DTXCID80696748
- DTXSID70746004
- RefChem:218368
- 1,3-Dibromo(~13~C_3_)propan-2-one
- 1,3-Dibromoacetone-13C3, 99 atom % 13C, 97% (CP)
Frequently asked questions
What is the CAS number of 1,3-Dibromo(~13~C_3_)propan-2-one?
The CAS Registry Number for 1,3-Dibromo(~13~C_3_)propan-2-one is 1313734-85-8.
What is the IUPAC name of 1,3-Dibromo(~13~C_3_)propan-2-one?
The IUPAC name of 1,3-Dibromo(~13~C_3_)propan-2-one is 1,3-dibromo(1,2,3-13C3)propan-2-one.
What is the molecular formula of 1,3-Dibromo(~13~C_3_)propan-2-one?
1,3-Dibromo(~13~C_3_)propan-2-one has the molecular formula C3H4Br2O and a molecular weight of 218.85 g/mol.
What is the SMILES notation for 1,3-Dibromo(~13~C_3_)propan-2-one?
The SMILES notation for 1,3-Dibromo(~13~C_3_)propan-2-one is [13CH2]([13C](=O)[13CH2]Br)Br.
Is 1,3-Dibromo(~13~C_3_)propan-2-one hazardous?
1,3-Dibromo(~13~C_3_)propan-2-one carries the following GHS hazard classifications: Corrosive, Health Hazard. Signal word: Danger.
What are other names for 1,3-Dibromo(~13~C_3_)propan-2-one?
1,3-Dibromo(~13~C_3_)propan-2-one is also known as 1,3-Dibromo(~13~C_3_)propan-2-one, 1,3-Dibromoacetone-13C3, 99 atom % 13C, 97% (CP), 1313734-85-8, DTXCID80696748, DTXSID70746004.
Data sourced from PubChem CID 71309899. Last updated .
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