2-Chlorocyclododecanone
Basic information
- CAS
35951-28-1- Standard SMILES
O=C1CCCCCCCCCCC1Cl- InChIKey
VDNDILHUSVTMNI-UHFFFAOYSA-N- Molecular formula
- C12H21ClO
- Average molar mass
- 216.75 g/mol
- Monoisotopic mass
- 216.128093
Names & identifiers
- Preferred name
- 2-Chlorocyclododecanone
- IUPAC
- 2-chlorocyclododecan-1-one
- English name
- 2-Chlorocyclododecanone
- Molecular formula
- C12H21ClO
- Molecular weight
- 216.75
Names & synonyms
2-Chlorocyclododecanone35951-28-1Cyclododecanone, 2-chloro-DTXSID80340678RefChem:86466DTXCID00291759679-917-9VDNDILHUSVTMNI-UHFFFAOYSA-N2-chlorocyclododecan-1-oneMFCD04117912a-chlorocyclododecanone2-Chlorocyclododecanone #
Show more names
2-Chlorocyclododecanon2-Chloro-1-cyclododecanone2-Chlorocyclododecanone>Cyclododecanone, 2-chloro-2-Chlorocyclododecane-1-one
2-chloro-cyclododecan-1-oneSCHEMBL5163241SY054697C1650CS-0365252F755656
Database identifiers
- CAS
35951-28-1- PubChem CID
- 566533
- DTXSID
DTXSID80340678- EC Number
- 679-917-9
- Nikkaji
- J31.680F
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 168
Physicochemical properties
- Melting point
- 59 · 59-60 °C
- Boiling point
- 117 · 117-118 °C
- Density
- 0.99 · 0.99±0.1 g/cm3(Predicted)
- vapor pressure
- 0.05 Pa · 0.05Pa at 20℃
- storage temp.
- Refrigerator
- solubility
- soluble in Methanol
- form
- Powder
- color
- White to Almost white
- LogP
- 4.5 at · 4.5 at 35℃ and pH7
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
- HS Code
- 2914.29 · 2914.29.5000
- REACH Registrations
- Active
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
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 2-chlorocyclododecanone (EC: 679-917-9)
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- hs_code
- 2914.29.5000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332-H315-H319
- REACH Registrations
- Active
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
Related reactions
5 records
Compound notes
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