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CARBON-13CDIOXIDE

CARBON-13CDIOXIDE structure

CAS No:
1111-72-4
Formula:
CO2
Chemical Name:
CARBON-13CDIOXIDE
Synonyms:
(13C)Methanedione;CARBON-13CDIOXIDE;(13C)Carbondioxide;13CO2CALIBRANTGAS;CARBONDIOXIDE(13C);13CLabeledcarbondioxide;CARBON-(13)CDIOXIDE,99(ATOM%(13)C);CARBON-13CDIOXIDE,99ATOM%13C,<3ATOM%18O
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

((13)C)carbon dioxide is a (13)C-modified compound that is carbon dioxide in which the carbon is present as its (13)C isotope. It has a role as a diagnostic agent. It is a (13)C-modified compound, a one-carbon compound, a carbon oxide and a gas molecular entity.

CARBON-13CDIOXIDE Basic Attributes

Molecular Weight：

45.00220

Exact Mass：

44.99320

DSSTox ID：

DTXSID90435908

Characteristics

PSA：

34.14000

XLogP3：

0.9

Density：

1.52 (vs air)

Melting Point：

-78ºC (subl.)(lit.)

Safety Information

Transport codes：

UN 1013 2.2

safety instructions：

Precautionary statement(s)：

P410 + P403

Hazard Statements：

H280

GHS Classification：

|Warning|H280 (100%): Contains gas under pressure; may explode if heated [Warning Gases under pressure]|P410+P40, and 410+P403|Aggregated GHS information provided by 82 companies from 2 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:45.002
XLogP3:0.9
Hydrogen Bond Acceptor Count:2
Exact Mass:44.993184074
Monoisotopic Mass:44.993184074
Topological Polar Surface Area:34.1
Heavy Atom Count:3
Complexity:18.3
Isotope Atom Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:No

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CARBON-13C DIOXIDE 99%

CAS No.: 1111-72-4

Content: 99%

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