5-Thiazolecarboxaldehyde,2-amino-4-chloro- supplier

Name
2-AMINO-4-CHLORO-5-THIAZOLECARBALDEHYDE
EINECS
CAS No. 76874-79-8
Article Data4
CAS DataBase
Density 1.659 g/cm³
Solubility
Melting Point
Formula C₄H₃ClN₂OS
Boiling Point 341.257 °C at 760 mmHg
Molecular Weight 162.6
Flash Point 160.187 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Amino-4-chloro-5-formyl-1,3-thiazole;2-Amino-4-chloro-5-formylthiazole;2-Amino-4-chloro-5-thiazolecarboxaldehyde;5-Thiazolecarboxaldehyde, 2-amino-4-chloro-;2-Amino-4-chloro-5-formylthiazole;2-Amino-4-chlorothiazole-5-carbaldehyde;
PSA 84.22000
LogP 1.77240

5-Thiazolecarboxaldehyde,2-amino-4-chloro- Specification

The 5-Thiazolecarboxaldehyde,2-amino-4-chloro-, with the CAS registry number 76874-79-8, has the systematic name and IUPAC name of 2-amino-4-chloro-1,3-thiazole-5-carbaldehyde. It belongs to the product category of Thiazole. And the molecular formula of the chemical is C₄H₃ClN₂OS.

The characteristics of 5-Thiazolecarboxaldehyde,2-amino-4-chloro- are as followings: (1)ACD/LogP: -0.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 44; (8)ACD/KOC (pH 7.4): 44; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 84.22 Å²; (13)Index of Refraction: 1.717; (14)Molar Refractivity: 38.613 cm³; (15)Molar Volume: 98.034 cm³; (16)Polarizability: 15.307×10^-24cm³; (17)Surface Tension: 78.003 dyne/cm; (18)Density: 1.659 g/cm³; (19)Flash Point: 160.187 °C; (20)Enthalpy of Vaporization: 58.489 kJ/mol; (21)Boiling Point: 341.257 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Uses of 5-Thiazolecarboxaldehyde,2-amino-4-chloro-: It can react with acetic acid anhydride to produce N-(4-chloro-5-formyl-thiazol-2-yl)-acηmide. It is a kind of acetylation reaction. The reaction time is 2 hours with heating, and the yield is about 54%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=Cc1sc(nc1Cl)N
(2)InChI: InChI=1/C4H3ClN2OS/c5-3-2(1-8)9-4(6)7-3/h1H,(H2,6,7)
(3)InChIKey: KJRBYUWRYRRPKN-UHFFFAOYAT

Product Name

2-AMINO-4-CHLORO-5-THIAZOLECARBALDEHYDE

5-Thiazolecarboxaldehyde,2-amino-4-chloro- Specification

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