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产品名称： 1-溴-3，5-二甲基金刚烷 Cas No.： 941-37-7 规格:： 99% 价格： 1元/ 发布日期:： 2015-04-27 【Name】
1-Bromo-3,5-dimethyladamantane
【CAS Registry number】
941-37-7
【Synonyms】
Adamantane,1-bromo-3,5-dimethyl- (7CI,8CI)
1,3-Dimethyl-5-bromoadamantane
3,5-Dimethyl-1-bromoadamantane
NSC 102293
【EINECS(EC#)】
213-378-9
【Molecular Formula】
C12H19Br (Products with the same molecular formula)
【Molecular Weight】
243.18
【Inchi】
InChI=1/C12H19Br/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8H2,1-2H3
【InChIKey】
QUCXLVDIVQWYJR-UHFFFAOYSA-N
【MOL File】
941-37-7.mol
Chemical and Physical Properties
【Appearance】
clear colorless oil
【Density】
1.365g/cm3
【Boiling Point】
248.3 °C at 760 mmHg
【Refractive Index】
n20/D 1.52(lit.)
【Flash Point】
108.9 °C
【Storage temp】
Refrigerator
【Computed Properties】
Molecular Weight:243.18326 [g/mol]
Molecular Formula:C12H19Br
XLogP3:5
H-Bond Donor:0
H-Bond Acceptor:0
Rotatable Bond Count:0
Exact Mass:242.067013
MonoIsotopic Mass:242.067013
Topological Polar Surface Area:0
Heavy Atom Count:13
Formal Charge:0
Complexity:240
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:4
Effective Rotor Count:1.2
Conformer Sampling RMSD:0.4
CID Conformer Count:1
Safety and Handling
【Hazard Codes】
C: Corrosive;
【Risk Statements】
R34
【Safety Statements 】
26-27-36/37/39-45
【HazardClass】
IRRITANT
【Safety】
Safety Information of 1-Bromo-3,5-dimethyladamantane (CAS NO.941-37-7):
Hazard Codes: CCorrosive
Risk Statements: 34-36??
R34:Causes burns.?
R36:Irritating to eyes.
Safety Statements: 26-27-36/37/39-45
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S27:Take off immediately all contaminated clothing.?
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.?
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
WGK Germany: 3
【Specification】
Clear Colorless Oil
Safety Statements:26-27-36/37/39-45
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
27:Take off immediately all contaminated clothing
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
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