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CAS No.: | 351983-31-8 |
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Name: | 5-CHLORO-2-THIOPHENECARBOXYLIC ACID HYDRAZIDE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C5H5ClN2OS |
Molecular Weight: | 176.626 |
Synonyms: | 5-chlorothiophene-2-carbohydrazide;2-thiophenecarboxylic acid, 5-chloro-, hydrazide;5-chlorothiophene-2-carbohydrazide; |
Density: | 1.491 g/cm3 |
Melting Point: | 148-149°C |
Hazard Symbols: | Xi; Xn |
Risk Codes: | 20/21/22-36/37/38-22 |
Safety: | 22-36/37/39-26 |
PSA: | 83.36000 |
LogP: | 2.09620 |
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The 2-Thiophenecarboxylicacid, 5-chloro-, hydrazide, with the CAS registry number 351983-31-8, has the systematic name of 5-chlorothiophene-2-carbohydrazide. It belongs to the following product categories: Aromatic Hydrazides, Hydrazines, Hydrazones and Oximes; Halogenated Heterocycles; Heterocyclic Building Blocks; Thiophenes; Thiophenes Building Blocks. And the molecular formula of the chemical is C5H5ClN2OS.
The characteristics of 2-Thiophenecarboxylicacid, 5-chloro-, hydrazide are as followings: (1)ACD/LogP: 0.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.91; (4)ACD/LogD (pH 7.4): 0.91; (5)ACD/BCF (pH 5.5): 2.87; (6)ACD/BCF (pH 7.4): 2.88; (7)ACD/KOC (pH 5.5): 74.05; (8)ACD/KOC (pH 7.4): 74.2; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 51.79 Å2; (13)Index of Refraction: 1.628; (14)Molar Refractivity: 42.05 cm3; (15)Molar Volume: 118.3 cm3; (16)Polarizability: 16.67×10-24cm3; (17)Surface Tension: 59.4 dyne/cm; (18)Density: 1.491 g/cm3.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Do not breathe dust; 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: O=C(NN)c1sc(Cl)cc1
(2)InChI: InChI=1/C5H5ClN2OS/c6-4-2-1-3(10-4)5(9)8-7/h1-2H,7H2,(H,8,9)
(3)InChIKey: WVOBELBQWDRLMM-UHFFFAOYAW