-
Name
METHYL 3-[(2-CHLOROACETYL)AMINO]THIOPHENE-2-CARBOXYLATE
- EINECS
- CAS No. 146381-88-6
- Density 1.448 g/cm3
- Solubility
- Melting Point
- Formula C8H8ClNO3S
- Boiling Point 430.6 °C at 760 mmHg
- Molecular Weight 233.67
- Flash Point 214.2 °C
- Transport Information
- Appearance
- Safety 26-36/37/39
- Risk Codes 36/37/38
-
Molecular Structure
-
Hazard Symbols
Xi
- Synonyms Methyl 3-[(chloroacetyl)amino]thiophene-2-carboxylate;
- PSA 83.64000
- LogP 1.78500
2-Thiophenecarboxylicacid, 3-[(2-chloroacetyl)amino]-, methyl ester Specification
The 2-Thiophenecarboxylicacid, 3-[(2-chloroacetyl)amino]-, methyl ester, with the CAS registry number 146381-88-6, is also known as Methyl 3-[(chloroacetyl)amino]thiophene-2-carboxylate. This chemical's molecular formula is C8H8ClNO3S and molecular weight is 233.67. What's more, its IUPAC name is methyl 3-[(2-chloroacetyl)amino]thiophene-2-carboxylate. When you are using this chemical, please be cautious about it. It may cause inflammation to the skin or other mucous membranes.
Physical properties of 2-Thiophenecarboxylicacid, 3-[(2-chloroacetyl)amino]-, methyl ester are: (1)ACD/LogP: 1.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.8; (4)ACD/LogD (pH 7.4): 1.8; (5)ACD/BCF (pH 5.5): 13.73; (6)ACD/BCF (pH 7.4): 13.73; (7)ACD/KOC (pH 5.5): 226.92; (8)ACD/KOC (pH 7.4): 226.91; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 74.85 Å2; (13)Index of Refraction: 1.604; (14)Molar Refractivity: 55.53 cm3; (15)Molar Volume: 161.2 cm3; (16)olarizability: 22.01×10-24cm3; (17)Surface Tension: 54.1 dyne/cm; (18)Density: 1.448 g/cm3; (19)Flash Point: 214.2 °C; (20)Enthalpy of Vaporization: 68.61 kJ/mol; (21)Boiling Point: 430.6 °C at 760 mmHg; (22)Vapour Pressure: 1.28E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1c(scc1)C(=O)OC)CCl
(2)Std. InChI: InChI=1S/C8H8ClNO3S/c1-13-8(12)7-5(2-3-14-7)10-6(11)4-9/h2-3H,4H2,1H3,(H,10,11)
(3)Std. InChIKey: UQIQUQQCIXVKLY-UHFFFAOYSA-N
Related Products
- 2-Thiophenecarboxylicacid, 3-(acetylamino)-, methyl ester
- 2-Thiophenecarboxylicacid, 3-[(2-chloroacetyl)amino]-, methyl ester
- 2-Thiophenecarboxylicacid, 3-amino-4-(1-methylethyl)-, methyl ester
- 2-Thiophenecarboxylicacid, 3-amino-4-(methylsulfonyl)-, methyl ester
- 2-Thiophenecarboxylicacid, 3-amino-4-(phenylsulfonyl)-
- 2-Thiophenecarboxylicacid, 3-amino-4-cyano-5-(methylthio)-, ethyl ester
- 2-Thiophenecarboxylicacid, 3-amino-4-cyano-5-(methylthio)-, methyl ester
- 2-Thiophenecarboxylicacid, 3-amino-5-(1,1-dimethylethyl)-, methyl ester
- 2-Thiophenecarboxylicacid, 3-amino-5-(4-chlorophenyl)-, ethyl ester
- 2-Thiophenecarboxylicacid, 3-amino-5-(4-fluorophenyl)-, methyl ester
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