Cas no 80997-89-3 (Benzenamine,4-bromo-2-(trifluoromethyl)-, hydrochloride (1:1))
80997-89-3 structure
Product Name:Benzenamine,4-bromo-2-(trifluoromethyl)-, hydrochloride (1:1)
CAS No:80997-89-3
MF:C7H6BrClF3N
MW:276.481450557709
CID:707948
PubChem ID:22597154
Update Time:2025-04-19
Benzenamine,4-bromo-2-(trifluoromethyl)-, hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine,4-bromo-2-(trifluoromethyl)-, hydrochloride (1:1)
- 4-BROMO-α,α,α-TRIFLUORO-O-TO LUIDINE HYDROCHLORIDE, 98
- 4,4Ethylenedipiperidine2HCl
- 80997-89-3
- MFCD00007824
- AKOS024307467
- 4-Bromo-2-(trifluoromethyl)-Benzenamine Hydrochloride
- IJPCZWDEYYLBFX-UHFFFAOYSA-N
- 2-Amino-5-bromobenzotrifluoride hydrochloride
- SCHEMBL6024890
- 4-Bromo-alpha,alpha,alpha-trifluoro-O-to luidine hydrochloride,98
- 4-BROMO-alpha,alpha,alpha-TRIFLUORO-O-TO LUIDINE HYDROCHLORIDE, 98
-
- Inchi： 1S/C7H5BrF3N.ClH/c8-4-1-2-6(12)5(3-4)7(9,10)11;/h1-3H,12H2;1H
- InChI Key： IJPCZWDEYYLBFX-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=C(C(F)(F)F)C=1)N.Cl
Computed Properties
- Exact Mass: 274.93200
- Monoisotopic Mass: 274.932
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 159
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26A^2
Experimental Properties
- Melting Point: 167?°C (dec.)(lit.)
- Boiling Point: 254.4°C at 760 mmHg
- Flash Point: 107.6°C
- PSA: 26.02000
- LogP: 4.43330
Benzenamine,4-bromo-2-(trifluoromethyl)-, hydrochloride (1:1) Security Information
- WGK Germany：3
- Hazard Category Code： 20/21/22-36/37/38
- Safety Instruction： 26-37/39
-
Hazardous Material Identification：
- Risk Phrases：R20/21/22; R36/37/38
Benzenamine,4-bromo-2-(trifluoromethyl)-, hydrochloride (1:1) Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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