Basic information
- CAS
13025-73-5- Standard SMILES
[2H]C([2H])([2H])C#C- InChIKey
MWWATHDPGQKSAR-BMSJAHLVSA-N- Molecular formula
- C3H4
- Average molar mass
- 43.08 g/mol
- Monoisotopic mass
- 43.05013037
Names & identifiers
- Preferred name
- Propyne-3,3,3-d1
- IUPAC
- 3,3,3-trideuterioprop-1-yne
- English name
- Methyl-d3-acetylene
- Molecular formula
- C3H4
- Molecular weight
- 40.07
Names & synonyms
Propyne-3,3,3-d113025-73-5DTXSID70156422RefChem:375647DTXCID9078913Methyl-d3-acetylene3,3,3-trideuterioprop-1-yneMethyl-d3-acetylene (gas)SCHEMBL1332704(3,3,3-~2~H_3_)Prop-1-ynePropyne-3,3,3-d3, 99 atom % D, 98% (CP)Propyne-3,3,3-d3
Show more names
PROPYNE (METHYL-D3, 98%)Propyne (methyl-D?, 98%)Propyne-3,3,3-d3
Database identifiers
- CAS
13025-73-5- PubChem CID
- 139366
- DTXSID
DTXSID70156422- EC Number
- 694-251-9
- Nikkaji
- J758.297H
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 3
- Formal charge
- 0
- Complexity
- 26.5
Physicochemical properties
- Flash point
- -51 °C · -51 °C
- InChI
- 1S/C3H4/c1-3-2/h1H,2H3/i2D3
- InChIKey
- MWWATHDPGQKSAR-BMSJAHLVSA-N
- SMILES
- [2H]C([2H])([2H])C#C
- UNSPSC Code
- 12352003 · 12352003
- Symbol(GHS)
- 2 · GHS02,GHS07,GHS04
- Signal word
- Danger
- Hazard statements
- 335 · H335-H220-H280
- Precautionary statements
- 410 · P410+P403-P210-P377-P381-P403
- target organs
- Respiratory system
- Hazard Codes
- F+,Xi
- Risk Statements
- 12 · 12-37
- RIDADR
- 1954 · UN 1954 2.1
- WGK Germany
- nwg
- Storage Class
- 2 A · 2A - Gases
- Hazard Classifications
- 1 Press · Flam. Gas 1Press. Gas Compr. GasSTOT SE 3
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, P261, P271, P280, P304+P340, P319, P377, P381, P403, P403+P233, 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
- nwg
- ridadr
- UN 1954 2.1
- risk_code
- 12-37
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07,GHS04
- hazard_code
- F+,Xi
- Storage Class
- 2A - Gases
- target organs
- Respiratory system
- Hazard statements
- H335-H220-H280
- Hazard Classifications
- Flam. Gas 1Press. Gas Compr. GasSTOT SE 3
- Precautionary statements
- P410+P403-P210-P377-P381-P403
Chemistry & industry
Applications
Uses- Mass spectrometry calibration- reaction mechanism investigations- Quality control reference standards- Pharmaceutical formulation development
Suppliers7 total
盐城通铭生物科技有限公司15195160625 · [email protected]
尚澜气体（上海）有限公司4001882517 13194677939 · [email protected]
上海嘉斯保气体有限公司13218776790 13218776790 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
南京昊绿生物科技有限公司025-84622273 17361806303 · [email protected]
上海葑菲医药科技有限公司+8618221552033 · [email protected]
青岛腾龙微波科技有限公司0532-83818797 17669478191 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…