Chloro(2-~13~C)ethane
Basic information
- CAS
117890-48-9- Standard SMILES
[13CH3]CCl- InChIKey
HRYZWHHZPQKTII-OUBTZVSYSA-N- Molecular formula
- C2H5Cl
- Average molar mass
- 65.51 g/mol
- Monoisotopic mass
- 65.0113327
Names & identifiers
- Preferred name
- Chloro(2-~13~C)ethane
- IUPAC
- chloro(213C)ethane
- English name
- Chloro(213C)ethane
- Molecular formula
- C2H5Cl
- Molecular weight
- 65.51
Names & synonyms
Chloro(2-~13~C)ethaneDTXSID70745794117890-48-9RefChem:333693DTXCID50696538Chloroethane-2-13CSCHEMBL1331389Chloroethane-2-13C, 99 atom % 13CChloro(213C)ethaneEthane-13C, 2-chloro-
Database identifiers
- CAS
117890-48-9- PubChem CID
- 71309232
- DTXSID
DTXSID70745794- EC Number
- 694-292-2
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 3
- Formal charge
- 0
- Complexity
- 2.8
Physicochemical properties
- Boiling point
- 12.3 °C · 12.3°C (lit.)
- Density
- 0.885 · 0.885±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- InChI
- 1S/C2H5Cl/c1-2-3/h2H2,1H3/i1+1
- InChIKey
- HRYZWHHZPQKTII-OUBTZVSYSA-N
- SMILES
- [13CH3]CCl
- UNSPSC Code
- 12352101 · 12352101
- Symbol(GHS)
- 2 · GHS02,GHS08,GHS04
- Signal word
- Danger
- Hazard statements
- 412 · H412-H220-H280-H351
- Precautionary statements
- 210 · P210-P377-P381-P403-P410+P403-P201-P202-P281-P308+P313-P405-P501-P273-P501
- WGK Germany
- 2 · WGK 2
- Storage Class
- 2 A · 2A - Gases
- Hazard Classifications
- 3 Carc · Aquatic Chronic 3Carc. 2Flam. Gas 1APress. Gas Liquefied gas
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H220 (100%): Extremely flammable gas [Danger Flammable gases]
P203, P210, P222, P273, P280, P318, P377, P381, P403, P405, P410+P403, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Gas 1 (100%)
Safety data
- wgk
- WGK 2
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS08,GHS04
- Storage Class
- 2A - Gases
- Hazard statements
- H412-H220-H280-H351
- Hazard Classifications
- Aquatic Chronic 3Carc. 2Flam. Gas 1APress. Gas Liquefied gas
- Precautionary statements
- P210-P377-P381-P403-P410+P403-P201-P202-P281-P308+P313-P405-P501-P273-P501
Chemistry & industry
Applications
Uses- High-resolution NMR spectroscopy- Metabolomic profiling and pathway analysis- Stable Isotope probing in Environmental microbiology- Environmental monitoring applications
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Related reactions
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Compound notes
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