176763-62-5 ((1R,2R)-环己二胺-N,N-双（3,5-二叔丁基水杨烯）钴,cobaltous;2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-oxido-phenyl)methyleneamino]cyclohexyl]iminomethyl]phenolate)

快速询单

结构式：

(1R,2R)-环己二胺-N,N-双（3,5-二叔丁基水杨烯）钴MOL文件

CAS号：

176763-62-5

中文名称：

(1R,2R)-环己二胺-N,N-双（3,5-二叔丁基水杨烯）钴

英文名称：

cobaltous;2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-oxido-phenyl)methyleneamino]cyclohexyl]iminomethyl]phenolate

安全信息：

分子式：

C₃₆H₅₄CoN₂O₂

分子量：

605.75937128067

(1R,2R)-环己二胺-N,N-双（3,5-二叔丁基水杨烯）钴(176763-62-5)名称与标识符

名称

中文别名：

(R,R)-(-)-N,N'-双(3,5-二叔丁基亚水杨基)-1,2-环己基二胺钴;(R,R)-(-)-N,N′-双(3,5-二-叔丁基亚水杨基)-1,2-环己二胺钴(II);(R,R)-(-)-N,N'-双(3,5-二叔丁基亚水杨基)-1,2-环己基二胺钴(II);(R,R)-(-)-N,N -双(3,5-二叔丁基亚水杨基)-1,2-环己基二胺钴(Ⅱ);(R,R)-(-)-N,N`-双(3,5-二叔丁基亚水杨基)-1,2-环己基二胺钴(II);(R,R)-(-)-N,N’-双(3,5-二叔丁基亚水杨基)-1,2-环己基二胺钴;(R,R)-(-)-N,N'-双(3,5-二叔丁基亚水杨基)-1;(R,R)-(-)-N,N'-双(3,5-二-叔丁基亚水杨基)-1,2-环己二胺钴(II);(R,R)-(-)-N,N'-双(3,5-二叔丁基亚水杨基)-1,2-环己二胺钴(II);(R,R)-(-)-N,N''-双(3,5-二叔丁基亚水杨基)-1,2-环己基二胺钴(Ⅱ);(R,R)-(-)-N,N'-双(3,5-二叔丁基亚水杨基)-1,2-环己基二胺钴(Ⅱ);二叔丁基水杨烯;(1R,2R)-(-)-1,2-环己烷二氨基-N,N'-双(3,5-二丁基亚水杨基)钴(Ⅱ);(1R,2R)-环己二胺-N,N-双(3,5-二叔丁基水杨烯)钴;-双(3,5-二叔丁基亚水杨基)-1,2-环己二胺钴(II);(1R,2R)-N,N'-双(3,5-二叔丁亚水杨基)-1,2-环己二胺钴;(R,R)-(-)-N,N'-双(3,5-二叔丁基邻羟亚苄基)-1,2-环己烷二氨基钴;N-双(3;2R)-环己二胺-N;5-二叔丁基水杨烯)钴;(R,R)-(-)-N,N’-双(3,5-二-叔丁基亚水杨基)-1,2-环己二胺钴(II);

英文别名：

Cobalt,[[2,2'-[(1R,2R)-1,2-cyclohexanediylbis[(nitrilo-kN)methylidyne]]bis[4,6-bis(1,1-dimethylethyl)phenolato-kO]](2-)]-, (SP-4-2)-;(R,R)-(-)-N,N'-BIS(3,5-DI-TERT-BUTYLSALICYLIDENE)-1,2-CYCLOHEXANEDIAMINO-COBALT(II);(R,R)-(-)-N,N-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediaminocobalt(II);(1R,2R)-(-)-1,2-Cyclohexanediamino-N,N'-bis(3,5-di-t-butylsalicylidene)cobalt(II);(R,R)-(-)-N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediaminocobalt(II);(R,R)-(-)-N,N‘-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediaminocobalt(II);(R,R)-N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediaminocobalt(II);Cobalt,[[2,2'-[(1R,2R)-1,2-cyclohexanediylbis[(nitrilo-kN)methylidyne]]bis[4,6-bis(1,1-dimethy...;Cobalt,[[2,2'-[(1R,2R)-1,2-cyclohexanediylbis[(nitrilo-kN)methylidyne]]bis[4,6-bis(1,1-dimethylethyl)phenolato-kO]](2-)]-, (S;salen Co（2）;(1R,2R)-(-)-1,2-Cyclohexanediamino-N,N'(R,R)-(-)-N,N′-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediaminocobalt(II);-bis(3,5-di-t-butylsalicylidene)cobalt(II);R-SALEN-CO;(1R,2R)-(-)-1,2-Cyclohexanediamino-N,N'-bis(3,5-;(1r,2r)-(-)-1,2-cyclohexanediamino-n,n'-bis(3,5- di-t-butylsalicylidene)cobalt;(1R,2R)-(-)-N,N'-BIS(3,5-DI-T-BUTYLSALICYDENE)-1,2-CYCLOHEXANEDIAMINOCOBALT(II);(1R,2R)-(-)-N,N-Bis(3,5-di-t-butylsalicylidene)-1,2-cyclohexanediaminocobalt(II);(R,R)-(-)-N,N'-BIS(3,5-DI-T-BUTYLSALICYL ID -ENE)-1,2-CYCLOHEXANEDIAMINOCOBALT(II;(R,R)-(-)-N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediaminocobalt(Ⅱ);(1R,2R)-N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,2- cyclohexanediaminocobalt(II);(R,R)-(-)-N,N’CyclohexanediaminoNNbisditbutylsalicylidene;(1R,2R)-(-)-1,2-CYCLOHEXANEDIAMINO-N N'-BIS(3,5-DI-T-BUTYLSALICYLIDENE)COBALT(II);(1R,2R)-(-)-1,2-Cyclohexanediamino-N,N-Bis(3,5-DI-T-Butylsalicylidene)Cobalt (II);cobaltous;2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-oxido-phenyl)methyleneamino]cyclohexyl]iminomethyl]phenolate;176763-62-5;(R,R)-(-)-N,N/'-BIS(3,5-DI-TERT-BUTYLSALICYLIDENE)-1,2-CYCLOHEXANEDIAMINO-COBALT(II);(4R,9R)-14,16,22,24-tetra-tert-butyl-18,20-dioxa-3,10-diaza-19-cobaltatetracyclo[19.4.0.0^{4,9}.0^{12,17}]pentacosa-1(21),2,10,12(17),13,15,22,24-octaene;EN300-90498;MFCD01631277;AKOS030228319;AKOS024258602;cobalt;2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;(r,r)-(-)-N,N'-bis(3,5-di-t-butylsalicylidene)-1,2-cyclohexanediaminocobalt(ii);(R,R)-(-)-N,N inverted exclamation marka-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediaminocobalt(II);A11486;(2E,4R,9R,10E)-14,16,22,24-tetra-tert-butyl-18,20-dioxa-3,10-diaza-19-cobaltatetracyclo[19.4.0.0?,?.0(1)(2),(1)?]pentacosa-1(21),2,10,12(17),13,15,22,24-octaene;605-782-2;

标识符

MDL：

MFCD01631277

InChIKey：

PCZWNUHBFITYKI-CITKKJEGSA-N

Inchi：

1S/C36H54N2O2.Co/c1-33(2,3)25-17-23(31(39)27(19-25)35(7,8)9)21-37-29-15-13-14-16-30(29)38-22-24-18-26(34(4,5)6)20-28(32(24)40)36(10,11)12;/h17-22,29-30,39-40H,13-16H2,1-12H3;/b37-21+,38-22+;/t29-,30-;/m1./s1

SMILES：

[Co].OC1C(=CC(=CC=1C(C)(C)C)C(C)(C)C)/C=N/[C@@H]1CCCC[C@H]1/N=C/C1=CC(=CC(=C1O)C(C)(C)C)C(C)(C)C

(1R,2R)-环己二胺-N,N-双（3,5-二叔丁基水杨烯）钴(176763-62-5)物化性质

实验特性

LogP : 8.28320
PSA : 43.18000
沸点 : No data available
熔点 : >350 °C (lit.)
颜色与性状 : 橘黄色到棕色粉末
溶解性 : 不能溶解于水

计算特性

精确分子量 : 603.33600
氢键供体数量 : 0
氢键受体数量 : 4
可旋转化学键数量 : 8
同位素质量 : 603.336
重原子数量 : 41
复杂度 : 1120
同位素原子数量 : 0
确定原子立构中心数量 : 2
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 2
不确定化学键立构中心数量 : 0
共价键单元数量 : 2
疏水参数计算参考值（XlogP） : 无
互变异构体数量 : 6
表面电荷 : 0
拓扑分子极性表面积 : 70.8A^2

(1R,2R)-环己二胺-N,N-双（3,5-二叔丁基水杨烯）钴(176763-62-5)安全信息

符号： GHS07
WGK Germany： 3
安全术语： S24/25
安全说明： 36/37/39
风险术语： R20/21/22
危险品标志： Xn
危险品运输编号： NONH for all modes of transport
危害声明：H302-H312-H332
警示性声明：P280
储存条件： Keep in dark place,Inert atmosphere,Room temperature(BD47910)
危险类别码： 20/21/22
信号词： Warning

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(1R,2R)-环己二胺-N,N-双（3,5-二叔丁基水杨烯）钴(176763-62-5)上下游

(R,R)-(-)-N,N'-双(3,5-二叔丁基亚水杨基)-1,2-环己二胺左旋-反式-1,2-环己二胺 3,5-二叔丁基-2-羟基苯甲醛四水合乙酸钴

(1R,2R)-环己二胺-N,N-双（3,5-二叔丁基水杨烯）钴(176763-62-5)相关文献

1. Probing differences in binding of methylbenzylamine enantiomers to chiral cobalt(ii) salen complexes
Sepideh Zamani,Emma Carter,Damien M. Murphy,Sabine Van Doorslaer Dalton Trans. 2012 41 6861

(1R,2R)-环己二胺-N,N-双（3,5-二叔丁基水杨烯）钴(176763-62-5)参考资料

Reaxys RN：

PubChem CID：

135407637

(1R,2R)-环己二胺-N,N-双（3,5-二叔丁基水杨烯）钴(176763-62-5) MSDS

基础信息

Section 1: Product Identification
   Chemical Name:       (1R,2R)-(-)-1,2-Cyclohexanediamino-N,N'-bis(3,5-di-t-butylsalicylidene)cobalt (II)
   CAS Registry Number:       176763-62-5
   Formula:       C36H52CoN2O2
   EINECS Number:       none
   Chemical Family:       organometallic complexes
   Synonym:       none

Section 2: Composition and Information on Ingredients
Ingredient CAS Number Percent ACGIH (TWA) OSHA (PEL)
Title Compound 176763-62-5 100% 0.02mg/m3 (as Co) no data

Section 3: Hazards Identification
   Causes irritation of eyes, skin, and respiratory tract. May cause lung disease, polycythemia, congestive failure,
   Emergency Overview:
   and enlargement of the thyroid. Limited evidence of a carcinogenic effect.
   Primary Routes of Exposure:       Skin and eyes, ingestion and dust inhalation.
   Eye Contact:       Causes irritation, redness, and pain.
   Skin Contact:       May cause dermatitis. Causes irritation to skin. Symptoms include redness, itching, and pain.
   Causes irritation to the respiratory tract. Symptoms may include coughing, shortness of breath, nausea,
   Inhalation:
   respiratory hypersensitivity, asthma.
   Causes abdominal pain, nausea, vomiting, flushing of the face and ears, mild hypo tension, rash, and ringing
   Ingestion:
   in the ears.
   Irritating to skin, eyes and respiratory tract. Causes abdominal pain, nausea, vomiting, coughing, and
   Acute Health Affects:
   shortness of breath.
   Repeated oral administration of cobalt salts may reduce thyroid activity, cause blood disease, and damage
   Chronic Health Affects:       kidney, heart and lungs. Prolonged or repeated skin exposure may cause dermatitis. Limited evidence of a
   carcinogenic effect.
   NTP:       No
   IARC:       No
   OSHA:       No

SECTION 4: First Aid Measures
   Immediately flush the eyes with copious amounts of water for at least 10-15 minutes. A victim may need
   Eye Exposure:
   assistance in keeping their eye lids open. Get immediate medical attention.
   Wash the affected area with water. Remove contaminated clothes if necessary. Seek medical assistance if
   Skin Exposure:
   irritation persists.
   Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty
   Inhalation:
   in breathing, coughing, wheezing, or pain. In such cases seek immediate medical assistance.
   Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious). Induce
   Ingestion:
   vomiting only if directed by medical personnel.

SECTION 5: Fire Fighting Measures
   Flash Point:       not applicable
   Autoignition Temperature:       none
   Explosion Limits:       none
   Extinguishing Medium:       carbon dioxide, foam or dry powder
   If this product is involved in a fire, fire fighters should be equipped with a NIOSH approved positive pressure
   Special Fire Fighting Procedures:
   self- contained breathing apparatus and full protective clothing.
   Hazardous Combustion and       If involved in a fire this material may emit toxic organic fumes.
   Decomposion Products:
   Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards.

SECTION 6: Accidental Release Measures
   Small spills can be mixed with vermiculite, sodium carbonate or other suitable non combustible adsorbent and
   Spill and Leak Procedures:
   swept up.

SECTION 7: Handling and Storage
Handling and Storage: Store in a tightly sealed container away from heat and direct sunlight.

SECTION 8: Exposure Controls and Personal Protection
   Eye Protection:       Always wear approved safety glasses when handling a chemical substance in the laboratory.
   Skin Protection:       Wear protective clothing and gloves.
   Ventilation:       Material may form a fine dust. If possible, handle the material in an efficient fume hood.
   If ventilation is not available a respirator should be worn. The use of respirators requires a Respirator
   Respirator:
   Protection Program to be in compliance with 29 CFR 1910.134.
   Ventilation:       Material may form a fine dust. If possible, handle the material in an efficient fume hood.
   Additional Protection:       No additional protection required.

SECTION 9: Physical and Chemical Properties
   Color and Form:       red-brown pwdr.
   Molecular Weight:       603.76
   Melting Point:       406-412°C
   Boiling Point:       no data
   Vapor Pressure:       not applicable
   Specific Gravity:       no data
   Odor:       none
   Solubility in Water:       insoluble

SECTION 10: Stability and Reactivity
   Stability:       air and moisture stable
   Hazardous Polymerization:       no hazardous polymerization
   Conditions to Avoid:       none
   Incompatibility:       oxidizing agents
   Decomposition Products:       carbon dioxide, carbon monoxide, nitrogen oxides, organic fumes, and cobalt oxide.

SECTION 11: Toxicological Information
   RTECS Data:       No information available in the RTECS files.
   Carcinogenic Effects:       Possible carcinogen
   Mutagenic Effects:       No data
   Tetratogenic Effects:       No data

SECTION 12: Ecological Information
Ecological Information: No information available

SECTION 13: Disposal Considerations
Disposal: Dispose of according to local, state and federal regulations.

SECTION 14: Transportation
   Shipping Name (CFR):       Non-hazardous
   Hazard Class (CFR):       NA
   Additional Hazard Class (CFR):       NA
   Packaging Group (CFR):       NA
   UN ID Number (CFR):       NA
   Shipping Name (IATA):       Non-hazardous
   Hazard Class (IATA):       NA
   Additional Hazard Class (IATA):       NA
   Packaging Group (IATA):       NA
   UN ID Number (IATA):       NA

SECTION 15: Regulatory Information
   TSCA:       Not listed in the TSCA inventory.
   SARA (Title 313):       Title compound: See category N096 for reporting.
   Second Ingredient:       None

SECTION 16 - ADDITIONAL INFORMATION
N/A