Basic information
- CAS
101933-88-4- Standard SMILES
C=CCCC(=C)Cl- InChIKey
MBBJLMQTIJDBCM-UHFFFAOYSA-N- Molecular formula
- C6H9Cl
- Average molar mass
- 116.59 g/mol
- Monoisotopic mass
- 116.039278
Names & identifiers
- Preferred name
- 2-Chloro-1,5-hexadiene
- IUPAC
- 2-chlorohexa-1,5-diene
- English name
- 2-Chloro-1,5-hexadiene
- Molecular formula
- C6H9Cl
- Molecular weight
- 116.58866
Names & synonyms
2-Chloro-1,5-hexadiene101933-88-42-chlorohexa-1,5-dieneSCHEMBL1415260SCHEMBL8278786SCHEMBL110167702-Chloro-1,5-hexadiene (>90%)
Database identifiers
- CAS
101933-88-4- PubChem CID
- 13601447
- EC Number
- 101-989-2
- Nikkaji
- J798.061B
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 74.2
Physicochemical properties
- storage temp.
- -20 °C · Amber Vial, -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Slightly), Ethyl Acetate, Methanol (Sparingly)
- form
- Oil
- color
- Clear Colorless
- Stability
- Light Sensitive, Volatile
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
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Chemistry & industry
Applications
Uses2-Chloro-1,5-hexadiene is a reagent in the conversion of zirconabicycles into bicyclic enones via carbonylation.
Suppliers2 total
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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