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CAS No.: | 26198-19-6 |
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Name: | 6-Chloro-1-hydroxibenzotriazol |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C6H4 Cl N3 O |
Molecular Weight: | 169.57 |
Synonyms: | 1-Hydroxy-6-chloro-1,2,3-benzotriazole;1-Hydroxy-6-chlorobenzotriazole;6-Chloro-1-hydroxy-1H-benzotriazole;NSC 30573;Cl-HOBt; |
EINECS: | 625-679-6 |
Density: | 1.71 g/cm3 |
Melting Point: | 197 °C |
Boiling Point: | 379.5 °C at 760 mmHg |
Flash Point: | 183.3 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-44-36/37/38-20/21/22 |
Safety: | 15-36-26 |
Transport Information: | UN 1325 4.1/PG 2 |
PSA: | 50.94000 |
LogP: | 1.32200 |
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CL-HOBT , with the CAS register number 26198-19-6, has its systematic name of 6-chloro-1H-benzotriazol-1-ol. And it is also known to us as 6-chlorobenzotriazole-1-ol , 6-chloro-n-hydroxybenzotriazol , 6-chloro-1-hydroxibenzotriazol , 6-chloro-1-hydroxy-1h-benzotriazole , 1h-benzotriazole,6-chloro-1-hydroxy- , etc.
Characteristics of this kind of chemical are as below: (1)#H bond acceptors: 4 ; (2)#H bond donors: 1 ; (3)#Freely Rotating Bonds: 1 ; (4)Polar Surface Area: 39.94 ; (5)Index of Refraction: 1.758 ; (6)Molar Refractivity: 40.61 cm3 ; (7)Molar Volume: 98.8 cm3 ; (8)Polarizability: 16.09× 10-24cm3 ; (9)Surface Tension: 68.7 dyne/cm ; (10)Density: 1.71 g/cm3 ; (11)Flash Point: 183.3 °C ; (12)Enthalpy of Vaporization: 65.22 kJ/mol ; (13)Boiling Point: 379.5 °C at 760 mmHg ; (14)Vapour Pressure: 2.66E-06 mmHg at 25°C .
Being a kind of harmful chemical, it may cause damage to health and if swallowed, inhalated, or in contact with skin, it will be very harmful. And it is also irritant to eyes, respiratory system and skin. Besides, it could even have risk of explosion if heated under confinement. As for these properties, you should be very cautious while using. Firstly, wear suitable protective clothing. And in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Secondly, keep away from heat, because it may cause explosion. And last but not the least, store this chemical at R.T.
This kind of chemical belongs to the product categories of miscellaneous, peptide coupling reagents, and peptide. And you could refer to the following data information to obtain the molecular structure:
SMILES: Clc1ccc2nnn(O)c2c1
InChI: InChI=1/C6H4ClN3O/c7-4-1-2-5-6(3-4)10(11)9-8-5/h1-3,11H
InChIKey: TZCYLJGNWDVJRA-UHFFFAOYAA