Cas no 110499-97-3 (1,1'-Biphenyl,4-hexyl-4'-[2-(4-isothiocyanatophenyl)ethyl]-)
![1,1'-Biphenyl,4-hexyl-4'-[2-(4-isothiocyanatophenyl)ethyl]- structure](https://ossimg.kuujia.com/scimg/110500/110499-97-3x500.png)
110499-97-3 structure
Product Name:1,1'-Biphenyl,4-hexyl-4'-[2-(4-isothiocyanatophenyl)ethyl]-
CAS No:110499-97-3
MF:C27H29NS
MW:399.590865850449
CID:133540
PubChem ID:24863214
Update Time:2025-04-19
1,1'-Biphenyl,4-hexyl-4'-[2-(4-isothiocyanatophenyl)ethyl]- Chemical and Physical Properties
Names and Identifiers
-
- 1,1'-Biphenyl,4-hexyl-4'-[2-(4-isothiocyanatophenyl)ethyl]-
- 1-hexyl-4-[4-[2-(4-isothiocyanatophenyl)ethyl]phenyl]benzene
- 4-Hexyl-4-[2-(4-Isothiocyanatophenyl)Ethyl]-1,1-Biphenyl
- 377244_ALDRICH
- 4-Hexyl-4'-[2-(4-isothiocyanatophenyl)ethyl]-1,1'-biphenyl
- AC1MZWZR
- ACMC-20mdfq
- AG-D-27991
- CTK4A6907
- 4-hexyl-4'-(2-(4-isothiocyanatophenyl)-ethyl)-1,1
- 110499-97-3
- SCHEMBL1274079
- 4-HEXYL-4/'-[2-(4-ISOTHIOCYANATOPHENYL)ETHYL]-1,1/'-BIPHENYL
- AKOS015908901
- 4-Hexyl-4'-[2-(4-isothiocyanatophenyl)ethyl]-1,1'-biphenyl, 99%
- 4-hexyl-4'-(4-isothiocyanatophenethyl)biphenyl
- 4-Hexyl-4'-[2-(4-isothiocyanato-phenyl)-ethyl]-biphenyl
- FT-0642707
- DTXSID80397889
-
- MDL： MFCD00134447
- Inchi： 1S/C27H29NS/c1-2-3-4-5-6-22-9-15-25(16-10-22)26-17-11-23(12-18-26)7-8-24-13-19-27(20-14-24)28-21-29/h9-20H,2-8H2,1H3
- InChI Key： KXHHFPNEPTUIEF-UHFFFAOYSA-N
- SMILES： S=C=NC1C=CC(=CC=1)CCC1C=CC(=CC=1)C1C=CC(=CC=1)CCCCCC
Computed Properties
- Exact Mass: 399.20200
- Monoisotopic Mass: 399.202
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 29
- Rotatable Bond Count: 10
- Complexity: 473
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 10.1
- Topological Polar Surface Area: 44.4A^2
Experimental Properties
- Color/Form: Not determined
- Density: 1.01
- Boiling Point: 532.3°C at 760 mmHg
- Flash Point: 302°C
- Refractive Index: 1.571
- PSA: 44.45000
- LogP: 7.99590
- Solubility: Not determined
1,1'-Biphenyl,4-hexyl-4'-[2-(4-isothiocyanatophenyl)ethyl]- Security Information
-
Symbol:
- Signal Word：Warning
- Hazard Statement： H315-H319-H335
- Warning Statement： P261-P305+P351+P338
- Hazardous Material transportation number：NONH for all modes of transport
- WGK Germany：3
- Hazard Category Code： 36/37/38
- Safety Instruction： 26-37/39
-
Hazardous Material Identification：
- Risk Phrases：R36/37/38
- Safety Term：Hazard Codes XiRisk Statements 36/37/38Safety Statements 26-37/39
1,1'-Biphenyl,4-hexyl-4'-[2-(4-isothiocyanatophenyl)ethyl]- Customs Data
- HS CODE：2930909090
- Customs Data：
China Customs Code:
2930909090Overview:
2930909090. Other organic sulfur compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
1,1'-Biphenyl,4-hexyl-4'-[2-(4-isothiocyanatophenyl)ethyl]- Related Literature
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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