1,1,1,3,3,3-hexadeuteriopropane

Modify Date: 2026-07-03 17:47:33

1,1,1,3,3,3-hexadeuteriopropane Structure
1,1,1,3,3,3-hexadeuteriopropane structure
Common Name 1,1,1,3,3,3-hexadeuteriopropane
CAS Number 2875-96-9 Molecular Weight 50.13260
Density 0.642g/cm3 Boiling Point -42.1ºC(lit.)
Molecular Formula C3H2D6 Melting Point -188ºC(lit.)
MSDS Chinese USA Flash Point -155.2 °F
Symbol GHS02 GHS04
GHS02, GHS04
Signal Word Danger

Summary: 1,1,1,3,3,3-Hexadeuteriopropane (CAS号:2875-96-9) is a deuterated compound with the molecular formula C3H2D6 and a molecular weight of 50.13260. It is used for research purposes only. For research-use only, not for medical or clinical usage.


 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name 1,1,1,3,3,3-hexadeuteriopropane
Synonym More Synonyms

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density 0.642g/cm3
Boiling Point -42.1ºC(lit.)
Melting Point -188ºC(lit.)
Molecular Formula C3H2D6
Molecular Weight 50.13260
Exact Mass 50.10030
LogP 1.41630
Vapour Pressure 7270mmHg at 25°C
Index of Refraction 1.33
InChIKey ATUOYWHBWRKTHZ-WFGJKAKNSA-N
SMILES CCC

 Safety Information

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Symbol GHS02 GHS04
GHS02, GHS04
Signal Word Danger
Hazard Statements H220-H280
Precautionary Statements P210-P410 + P403
Hazard Codes F: Flammable;
Risk Phrases 11
Safety Phrases 16-33-36-38
RIDADR UN 1978 2.1
Flash Point(F) -155.2 °F
Flash Point(C) -104 °C

 Synthetic Route

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

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1,1,1,3,3,3-hexadeuteriopropane Structure

1,1,1,3,3,3-hex...

CAS#:2875-96-9

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Literature: Epstein; Savchenko; Kulinkovich Russian Chemical Bulletin, 2000 , vol. 49, # 2 p. 378 - 380

 Precursor & DownStream

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor  0

DownStream  3

 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

MFCD00190501
1,1,1,3,3,3-hexadeuterio-propane
Propane-1,1,1,3,3,3-d6
1,1,1,3,3,3-Hexadeuterio-propan
CD3CH2CD3

 1,1,1,3,3,3-hexadeuteriopropane | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the CAS number of 1,1,1,3,3,3-hexadeuteriopropane?
A: CAS number of 1,1,1,3,3,3-hexadeuteriopropane is 2875-96-9.
Q: What is the melting point of 1,1,1,3,3,3-hexadeuteriopropane?
A: Melting point of 1,1,1,3,3,3-hexadeuteriopropane is -188ºC(lit.).
Q: What is the boiling point of 1,1,1,3,3,3-hexadeuteriopropane?
A: Boiling point of 1,1,1,3,3,3-hexadeuteriopropane is -42.1ºC(lit.).
Q: What is the molecular formula of 1,1,1,3,3,3-hexadeuteriopropane?
A: Molecular formula of 1,1,1,3,3,3-hexadeuteriopropane is C3H2D6.
Q: What is the LogP of 1,1,1,3,3,3-hexadeuteriopropane?
A: LogP of 1,1,1,3,3,3-hexadeuteriopropane is 1.41630.
Q: What English synonyms does 1,1,1,3,3,3-hexadeuteriopropane have?
A: English synonyms of 1,1,1,3,3,3-hexadeuteriopropane: MFCD00190501, 1,1,1,3,3,3-hexadeuterio-propane, Propane-1,1,1,3,3,3-d6, 1,1,1,3,3,3-Hexadeuterio-propan, CD3CH2CD3.
Q: What is the safety information for 1,1,1,3,3,3-hexadeuteriopropane?
A: Safety information for 1,1,1,3,3,3-hexadeuteriopropane: 16-33-36-38.
Q: What is the molecular weight of 1,1,1,3,3,3-hexadeuteriopropane?
A: Molecular weight of 1,1,1,3,3,3-hexadeuteriopropane is 50.13260.
Q: What is the English name of 1,1,1,3,3,3-hexadeuteriopropane?
A: The English name of 1,1,1,3,3,3-hexadeuteriopropane is 1,1,1,3,3,3-hexadeuteriopropane.
Q: What is the SMILES notation of 1,1,1,3,3,3-hexadeuteriopropane?
A: SMILES notation of 1,1,1,3,3,3-hexadeuteriopropane is CCC.
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