Basic information
- CAS
1173019-90-3- Standard SMILES
O=[13C](O[13C](Cl)(Cl)Cl)O[13C](Cl)(Cl)Cl- InChIKey
UCPYLLCMEDAXFR-VMIGTVKRSA-N- Molecular formula
- C3Cl6O3
- Average molar mass
- 299.7 g/mol
- Monoisotopic mass
- 296.807925
Names & identifiers
- Preferred name
- Bis(trichloro(~13~C)methyl) (~13~C)carbonate
- IUPAC
- bis(trichloro(113C)methyl) carbonate
- English name
- Triphosgene-13C3
- Molecular formula
- C3Cl6O3
- Molecular weight
- 299.7753
Names & synonyms
1173019-90-3Bis[trichloro(~13~C)methyl] (~13~C)carbonateDTXSID60745884Bis(trichloro(~13~C)methyl) (~13~C)carbonateRefChem:1079990DTXCID40696628Triphosgene-13C3bis(trichloro(113C)methyl) carbonateTriphosgene-13C3, 99 atom % 13C13C3-triphosgene
Database identifiers
- CAS
1173019-90-3- PubChem CID
- 71309435
- DTXSID
DTXSID60745884- EC Number
- 693-670-4
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 150
Physicochemical properties
- Melting point
- 79 · 79-83 °C(lit.)
- Boiling point
- 203 · 203-206 °C(lit.)
- storage temp.
- 2 · 2-8°C
- form
- solid
- InChI
- 1S/C3Cl6O3/c4-2(5,6)11-1(10)12-3(7,8)9/i1+1,2+1,3+1
- InChIKey
- UCPYLLCMEDAXFR-VMIGTVKRSA-N
- SMILES
- Cl[13C](Cl)(Cl)O[13C](=O)O[13C](Cl)(Cl)Cl
- UNSPSC Code
- 12352101 · 12352101
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 314 · H314-H330
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501
- PPE
- 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- Hazard Codes
- T+
- Risk Statements
- 26 · 26-34
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
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P271, P280, P284, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P320, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- WGK 3
- ridadr
- UN 2928 6.1/PG 2
- risk_code
- 26-34
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- hazard_code
- T+
- safety_code
- 36/37/39-45
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard statements
- H314-H330
- Hazard Classifications
- Acute Tox. 2 InhalationEye Dam. 1Skin Corr. 1B
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501
Chemistry & industry
Applications
UsesTriphosgene-13C3 is an isotope labelled compound of Triphosgene(T810500); an efficient carbonylating agent for liquid and solid-phase aza-peptide synthesis.
Suppliers2 total
BOC Sciences+1-631-485-4226 · [email protected]
郑州汀阳医药科技有限公司0371-18638163978 18638163978 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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