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供應(yīng) 1,1,1-三(4-羥基苯基)乙烷(THPE) /27955-94-8  |
規(guī) 格： |
99.6 |
價 格： |
1/ |
數(shù) 量： |
1 |
交貨地： |
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發(fā)布時間： |
2015-04-27 |
有效期： |
3天 |
備 注： |
【Name】
1,1,1-tris(4-hydroxyphenyl)ethane
【Iupac name】
4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol
【CAS Registry number】
27955-94-8
【Synonyms】
4,4,4-(Ethylidene)trisphenol
4,4’,4’’-ethylidynetri-pheno
4,4’,4’’-ethylidynetris-pheno
4,4’,4’’-ethylidynetrisphenol
tris(4-hydroxyphenyl)ethane
LABOTEST-BB LT00159983
4,4’,4’’-(ETHYLIDENE)TRISPHENOL
1,1,1-TRIS(P-HYDROXYPHENYL)ETHANE
【EINECS(EC#)】
405-800-7
【Molecular Formula】
C20H18O3 (Products with the same molecular formula)
【Molecular Weight】
306.35
【Inchi】
InChI=1/C20H18O3/c1-20(14-2-8-17(21)9-3-14,15-4-10-18(22)11-5-15)16-6-12-19(23)13-7-16/h2-13,21-23H,1H3
【InChIKey】
BRPSWMCDEYMRPE-UHFFFAOYSA-N
【Canonical SMILES】
CC(C1=CC=C(C=C1)O)(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O
【MOL File】
27955-94-8.mol
Chemical and Physical Properties
【Density】
1.252 g/ml
【Melting Point】
246-248℃
【Boiling Point】
531.8 °C
【Vapour】
6.3E-12mmHg at 25°C
【Refractive Index】
1.655
【Flash Point】
251 °C
【Computed Properties】
Molecular Weight:306.35512 [g/mol]
Molecular Formula:C20H18O3
XLogP3:4.1
H-Bond Donor:3
H-Bond Acceptor:3
Rotatable Bond Count:3
Tautomer Count:4
Exact Mass:306.125594
MonoIsotopic Mass:306.125594
Topological Polar Surface Area:60.7
Heavy Atom Count:23
Formal Charge:0
Complexity:304
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Donor Count:3
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:3
Effective Rotor Count:3
Conformer Sampling RMSD:0.6
CID Conformer Count:2
Safety and Handling
【Hazard Codes】
Xi:Irritant;
【Risk Statements】
R36/37/38
【Safety Statements 】
S26;S37/39
【Safety】
Safety information of 1,1,1-Tris(4-hydroxyphenyl)ethane (27955-94-8):
Hazard Codes: Xi,N
Risk Statements:36/37/38-51/53
36/37/38: Irritating to eyes, respiratory system and skin
51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment
Safety Statements: 26-37/39-61
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
37/39: Wear suitable gloves and eye/face protection
61: Avoid release to the environment. Refer to special instructions safety data sheet
RIDADR: UN 3077 9/PG 3
WGK Germany: 2
RTECS: SL4375275
Low toxicity by ingestion and skin contact. A mild eye irritant. When heated to decomposition it emits acrid smoke and irritating vapors.
【Transport】
UN 3077 |
結(jié)構(gòu)式： |
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