1-Methyl-1h-1,2,3-benzotriazole-5-carbaldehyde supplier

Name
1-Methyl-1h-1,2,3-benzotriazole-5-carbaldehyde
EINECS
CAS No. 499770-67-1
Article Data2
CAS DataBase
Density 1.333 g/cm³
Solubility
Melting Point 162 °C
Formula C₈H₇N₃O
Boiling Point 354.124 °C at 760 mmHg
Molecular Weight 161.163
Flash Point 167.968 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system
Synonyms 1-methylbenzotriazole-5-carbaldehyde;1H-1,2,3-benzotriazole-5-carboxaldehyde, 1-methyl-;1-Methyl-1H-benzotriazole-5-carbaldehyde;
PSA 47.78000
LogP 0.78080

1-Methyl-1h-1,2,3-benzotriazole-5-carbaldehyde Specification

The 1-Methyl-1H-1,2,3-benzotriazole-5-carbaldehyde, with the CAS registry number 499770-67-1, has the systematic name and IUPAC name of 1-methylbenzotriazole-5-carbaldehyde. It is also called 1H-1,2,3-benzotriazole-5-carboxaldehyde, 1-methyl-. And the molecular formula of the chemical is C₈H₇N₃O.

The characteristics of 1-Methyl-1h-1,2,3-benzotriazole-5-carbaldehyde are as followings: (1)ACD/LogP: 0.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.818; (4)ACD/LogD (pH 7.4): 0.818; (5)ACD/BCF (pH 5.5): 2.463; (6)ACD/BCF (pH 7.4): 2.463; (7)ACD/KOC (pH 5.5): 66.349; (8)ACD/KOC (pH 7.4): 66.349; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 47.78 Å²; (13)Index of Refraction: 1.668; (14)Molar Refractivity: 45.043 cm³; (15)Molar Volume: 120.875 cm³; (16)Polarizability: 17.857×10^-24cm³; (17)Surface Tension: 52.537 dyne/cm; (18)Density: 1.333 g/cm³; (19)Flash Point: 167.968 °C; (20)Enthalpy of Vaporization: 59.913 kJ/mol; (21)Boiling Point: 354.124 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cn1c2ccc(cc2nn1)C=O
(2)InChI: InChI=1/C8H7N3O/c1-11-8-3-2-6(5-12)4-7(8)9-10-11/h2-5H,1H3
(3)InChIKey: IPVPVOVAJDRRAK-UHFFFAOYAO

Product Name

1-Methyl-1h-1,2,3-benzotriazole-5-carbaldehyde

1-Methyl-1h-1,2,3-benzotriazole-5-carbaldehyde Specification

Related Products

Hot Products