4-(1H-1,2,4-Triazol-1-yl)benzaldehyde supplier

Name
4-(1H-1,2,4-TRIAZOL-1-YL)BENZALDEHYDE
EINECS
CAS No. 27996-86-7
Article Data36
CAS DataBase
Density 1.256 g/cm³
Solubility
Melting Point 147 °C
Formula C₉H₇N₃O
Boiling Point 369.169 °C at 760 mmHg
Molecular Weight 173.174
Flash Point 177.068 °C
Transport Information
Appearance
Safety 22-26-36/37/39
Risk Codes 22-36/37/38
Molecular Structure
Hazard Symbols Xn
Synonyms Benzaldehyde,p-1H-1,2,4-triazol-1-yl- (8CI);4-(1,2,4-Triazol-1-yl)benzaldehyde;4-(1H-1,2,4-Triazol-1-yl)benzaldehyde;4-[1,2,4]Triazol-1-yl-benzaldehyde;
PSA 47.78000
LogP 1.07980

4-(1H-1,2,4-Triazol-1-yl)benzaldehyde Specification

The Benzaldehyde,4-(1H-1,2,4-triazol-1-yl)-, with the CAS registry number 27996-86-7, is also known as 4-(1H-1,2,4-Triazol-1-yl)benzaldehyde. It belongs to the product categories of Carbonyl Compounds; Heterocycles. This chemical's molecular formula is C₉H₇N₃O and formula weight is 173.17. What's more, its IUPAC name is 4-(1,2,4-triazol-1-yl)benzaldehyde.

Physical properties of Benzaldehyde,4-(1H-1,2,4-triazol-1-yl)- are: (1)ACD/LogP: 0.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.75; (4)ACD/BCF (pH 5.5): 2.18; (5)ACD/KOC (pH 5.5): 60.75; (6)ACD/KOC (pH 7.4): 60.77; (7)#H bond acceptors: 4; (8)#H bond donors: 0; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 47.78 Å²; (11)Index of Refraction: 1.642; (12)Molar Refractivity: 49.83 cm³; (13)Molar Volume: 137.8 cm³; (14)Surface Tension: 52.7 dyne/cm; (15)Density: 1.25 g/cm³; (16)Flash Point: 177.1 °C; (17)Enthalpy of Vaporization: 61.59 kJ/mol; (18)Boiling Point: 369.2 °C at 760 mmHg; (19)Vapour Pressure: 1.21E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. It is irritating to eyes, respiratory system and skin.You should not breathe dust. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1C=O)N2C=NC=N
(2)InChI: InChI=1S/C9H7N3O/c13-5-8-1-3-9(4-2-8)12-7-10-6-11-12/h1-7H
(3)InChIKey: TVEJNWMWDIXPAX-UHFFFAOYSA-N

Product Name

4-(1H-1,2,4-TRIAZOL-1-YL)BENZALDEHYDE

4-(1H-1,2,4-Triazol-1-yl)benzaldehyde Specification

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