Basic information
- Name:
2,2'-Dihydroxybiphenyl
- CAS No.:
661-36-9
- Molecular Structure:
- Formula:
- C4H12BF4N
- Molecular Weight:
- 160.9494
- Synonyms:
- AMMONIUM, TETRAMETHYL-, TETRAFLUOROBORATE(1-);N,N,N-Trimethylmethanaminium tetrafluoroborate(1-);Tetramethylammonium fluoroborate;Methanaminium, N,N,N-trimethyl-, tetrafluoroborate(1-) (9CI);Tetramethylammonium tetrafluoroborate;tetrafluoroboron; tetramethylazanium;Borate(1-), tetrafluoro-, tetramethylammonium salt;
- EINECS:
- 211-547-1
- Melting Point:
- ≥300 °C(lit.)
- Solubility:
- Soluble in water
- Appearance:
- White crystals
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 26-36 Details
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Specification
The 2,2'-Dihydroxybiphenyl, with CAS registry number 661-36-9, belongs to the following product categories: (1)Ammonium Polyhalides, etc. (Quaternary); (2)B (Classes of Boron Compounds); (3)Quaternary Ammonium Compounds; (4)Tetrafluoroborates; (5)Ammonium Salts; (6)Greener Alternatives: Catalysis; (7)Phase Transfer Catalysts. It has the systematic name of N,N,N-trimethylmethanaminium tetrafluoroborate. This chemical is a kind of white crystals. And the chemical formula of this chemical is C4H12BF4N.
Physical properties of 2,2'-Dihydroxybiphenyl: (1)ACD/LogP: -2.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.89; (4)ACD/LogD (pH 7.4): -2.89; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2.
When you are using this chemical, please be
cautious about it as the following:
The 2,2'-Dihydroxybiphenyl irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: F[B-](F)(F)F.C[N+](C)(C)C
(2)InChI: InChI=1/C4H12N.BF4/c1-5(2,3)4;2-1(3,4)5/h1-4H3;/q+1;-1
(3)InChIKey: XWFABLFRYCHILB-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C4H12N.BF4/c1-5(2,3)4;2-1(3,4)5/h1-4H3;/q+1;-1
(5)Std. InChIKey: XWFABLFRYCHILB-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 1mg/kg (1mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00016, |
