3-Bromopropyl isocyanate

Modify Date: 2026-07-27 15:29:58

3-Bromopropyl isocyanate Structure
3-Bromopropyl isocyanate structure
Common Name 3-Bromopropyl isocyanate
CAS Number 56017-72-2 Molecular Weight 164.00100
Density 1.47g/cm3 Boiling Point 174.6ºC at 760mmHg
Molecular Formula C4H6BrNO Melting Point N/A
MSDS N/A Flash Point 59.4ºC

 Names

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

Name 1-bromo-3-isocyanatopropane
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 1.47g/cm3
Boiling Point 174.6ºC at 760mmHg
Molecular Formula C4H6BrNO
Molecular Weight 164.00100
Flash Point 59.4ºC
Exact Mass 162.96300
PSA 29.43000
LogP 1.10720
Index of Refraction 1.496
InChIKey KMDXMJQBNOVBNE-UHFFFAOYSA-N
SMILES O=C=NCCCBr

 Synthetic Route

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

~%

3-Bromopropyl isocyanate Structure

3-Bromopropyl i...

CAS#:56017-72-2

Learn More
Literature: Krantz,A.; Hoppe,B. Tetrahedron Letters, 1975 , # 9 p. 695 - 698

~%

3-Bromopropyl isocyanate Structure

3-Bromopropyl i...

CAS#:56017-72-2

Learn More
Literature: Kricheldorf,H.R. Angewandte Chemie, 1979 , vol. 91, p. 749

 Synonyms

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

3-bromo-isocyanatopropane
Propane,1-bromo-3-isocyanato
3-Brom-propylisocyanat
3-Bromopropyl isocyanate
Y9470

 3-Bromopropyl isocyanate | FAQ

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

Q: What is the English name of 1-bromo-3-isocyanatopropane?
A: The English name of 1-bromo-3-isocyanatopropane is 1-bromo-3-isocyanatopropane.
Q: What is the SMILES notation of 1-bromo-3-isocyanatopropane?
A: SMILES notation of 1-bromo-3-isocyanatopropane is O=C=NCCCBr.
Q: What is the polar surface area (PSA) of 1-bromo-3-isocyanatopropane?
A: Polar surface area (PSA) of 1-bromo-3-isocyanatopropane is 29.43000.
Q: What English synonyms does 1-bromo-3-isocyanatopropane have?
A: English synonyms of 1-bromo-3-isocyanatopropane: 3-bromo-isocyanatopropane, Propane,1-bromo-3-isocyanato, 3-Brom-propylisocyanat, 3-Bromopropyl isocyanate, Y9470.
Q: What is the molecular formula of 1-bromo-3-isocyanatopropane?
A: Molecular formula of 1-bromo-3-isocyanatopropane is C4H6BrNO.
Q: What is the boiling point of 1-bromo-3-isocyanatopropane?
A: Boiling point of 1-bromo-3-isocyanatopropane is 174.6ºC at 760mmHg.
Q: What is the CAS number of 1-bromo-3-isocyanatopropane?
A: CAS number of 1-bromo-3-isocyanatopropane is 56017-72-2.
Q: What is the InChIKey of 1-bromo-3-isocyanatopropane?
A: InChIKey of 1-bromo-3-isocyanatopropane is KMDXMJQBNOVBNE-UHFFFAOYSA-N.
Q: What is the LogP of 1-bromo-3-isocyanatopropane?
A: LogP of 1-bromo-3-isocyanatopropane is 1.10720.
Q: What is the molecular weight of 1-bromo-3-isocyanatopropane?
A: Molecular weight of 1-bromo-3-isocyanatopropane is 164.00100.

 3-Bromopropyl isocyanatefactory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

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