Basic information
- CAS
3906-55-6- Standard SMILES
O=C([O-])CCCC1CCCCC1.O=C([O-])CCCC1CCCCC1.[Ni+2]- InChIKey
LSLSVVJPMABPLC-UHFFFAOYSA-L- Molecular formula
- C20H34NiO4
- Average molar mass
- 397.2 g/mol
- Monoisotopic mass
- 396.181051
Names & identifiers
- Preferred name
- Cyclohexanebutanoic acid, nickel(2+) salt (2:1)
- IUPAC
- bis(4-cyclohexylbutanoate);nickel(2+)
- English name
- Nickel cyclohexanebutyrate
- Molecular formula
- C20H34NiO4
- Molecular weight
- 397.17
Names & synonyms
Nickel cyclohexanebutyrateCyclohexanebutanoic acid, nickel(2+) saltNickel(II) 4-cyclohexylbutyrateNickel bis(4-cyclohexylbutyrate)NSC 7729EINECS 223-463-2Cyclohexanebutanoic acid, nickel(2+) salt (2:1)RefChem:580505Nickel 4cyclohexylbutyrateNickel bis(4cyclohexylbutyrate)223-463-23906-55-6
Show more names
NICKEL(II) CYCLOHEXANEBUTYRATENickel(II)cyclohexanebutyrate(AAS)cyclohexanebutanoicacid,nickel(2++)saltNickel cyclohexanebutyrate, min. 13.5% NiBis(cyclohexanebutyric acid)nickel(II) saltNickel(II)cyclohexanebutyrateaasspectrogradeNICKEL(II) CYCLOHEXANEBUTYRATE (AAS): BLUE-GREEN POWDER
NICKELCYCLOHEXANEBUTYRATENickel 4-cyclohexylbutyrate4-cyclohexylbutanoate;nickel(2+)Nickel cyclohexylbutyrateCyclohexanebutyric acid, nickel saltnickel(2+) bis(4-cyclohexylbutanoate)MFCD00036402C20H34NiO4
Database identifiers
Properties
Computed structural properties
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 131
Experimental & physicochemical properties
Chemical ClassesMetals -> Nickel Compounds, Inorganic
Physical DescriptionLight green powder; [Aldrich MSDS] Insoluble in water; [Merck Eurolab MSDS]
Physicochemical properties
- Melting point
- 240 °C · 240 °C(lit.)
- form
- crystal
- color
- green to blue
- CAS DataBase Reference
- 3906 · 3906-55-6
- REACH Annex XVII Substances List
- Nickel bis(4-cyclohexylbutyrate) (3906-55-6)
- EPA Substance Registry System
- Cyclohexanebutanoic acid, nickel(2+) salt (3906-55-6)
- Symbol(GHS)
- 8 · GHS08,GHS09
- Signal word
- Danger
- Hazard statements
- 317 · H317-H334-H341-H350i-H360D-H372-H410
- Precautionary statements
- 201 · P201-P261-P273-P280-P284-P304+P340
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
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
P203, P233, P260, P261, P264, P270, P271, P272, P273, P280, P284, P302+P352, P304+P340, P318, P319, P321, P333+P317, P342+P316, P362+P364, P391, P403, P405, and P501 (click each P-code to see the statement)
Danger
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P203, P233, P260, P261, P264, P270, P271, P272, P273, P280, P284, P302+P352, P304+P340, P318, P319, P321, P333+P317, P342+P316, P362+P364, P391, P403, P405, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
Chemical: Cyclohexanebutanoic acid, nickel(2+) salt
Hazard Traits - Carcinogenicity; Reproductive Toxicity; Respiratory Toxicity
Restricted substance: Nickel bis(4-cyclohexylbutyrate)
Other Safety InformationIMAP assessments - Nickel salts of organic fatty acids: Human health tier II assessment
Hazards SummaryMay cause irritation; May cause skin sensitization; Targets lungs; [Aldrich MSDS] See Nickel and the linked occupational diseases.
Hazard Classes and Categories
Skin Sens. 1 (100%)
Acute toxicity - category 4
Carc. 1A
Safety & protection
Threshold Limit Values (TLV)0.2 [mg/m3], inhalable fraction, as Ni
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCyclohexanebutanoic acid, nickel(2+) salt (2:1): ACTIVE
Suppliers10 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
长沙晶康新材料科技有限公司0731-85118349 18874718518 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
重庆博涛生物科技有限公司15223382610 · [email protected]
SUZHOU SENFEIDA CHEMICAL CO.,LTD+86-0512-83500002 +86-15195660023 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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