Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

4H-Cyclohepta[b]thiophene-3-carboxylicacid, 2-[(2-chloroacetyl)amino]-5,6,7,8-tetrahydro-, ethyl ester

Related Products

Hot Products

Basic Information Post buying leads Suppliers
Name

4H-Cyclohepta[b]thiophene-3-carboxylicacid, 2-[(2-chloroacetyl)amino]-5,6,7,8-tetrahydro-, ethyl ester

EINECS N/A
CAS No. 76981-88-9 Density 1.303 g/cm3
PSA 83.64000 LogP 3.44400
Solubility N/A Melting Point N/A
Formula C14H18ClNO3S Boiling Point 528.1 °C at 760 mmHg
Molecular Weight 315.821 Flash Point 273.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 76981-88-9 (2-(2-CHLORO-ACETYLAMINO)-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER) Hazard Symbols IrritantXi
Synonyms

4H-Cyclohepta[b]thiophene-3-carboxylicacid, 2-[(chloroacetyl)amino]-5,6,7,8-tetrahydro-, ethyl ester (9CI);

 

4H-Cyclohepta[b]thiophene-3-carboxylicacid, 2-[(2-chloroacetyl)amino]-5,6,7,8-tetrahydro-, ethyl ester Specification

The 4H-Cyclohepta[b]thiophene-3-carboxylicacid, 2-[(2-chloroacetyl)amino]-5,6,7,8-tetrahydro-, ethyl ester, with the CAS registry number 76981-88-9, is also known as 2-(2-Chloro-acetylamino)-5,6,7,8-tetrahydro-4h-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester. This chemical's molecular formula is C14H18ClNO3S and molecular weight is 315.82. What's more, its systematic name is called Ethyl 2-[(chloroacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate. When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin eyes and respiratory system or other mucous membranes.

Physical properties about 4H-Cyclohepta[b]thiophene-3-carboxylicacid, 2-[(2-chloroacetyl)amino]-5,6,7,8-tetrahydro-, ethyl ester are: (1)ACD/LogP: 4.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.96; (4)ACD/LogD (pH 7.4): 4.96; (5)ACD/BCF (pH 5.5): 3467.99; (6)ACD/BCF (pH 7.4): 3467.92; (7)ACD/KOC (pH 5.5): 11900.96; (8)ACD/KOC (pH 7.4): 11900.73; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 74.85 Å2; (13)Index of Refraction: 1.588; (14)Molar Refractivity: 81.56 cm3; (15)Molar Volume: 242.3 cm3; (16)Surface Tension: 49.7 dyne/cm; (17)Density: 1.303 g/cm3; (18)Flash Point: 273.2 °C; (19)Enthalpy of Vaporization: 80.28 kJ/mol; (20)Boiling Point: 528.1 °C at 760 mmHg; (21)Vapour Pressure: 3.07E-11 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: ClCC(=O)Nc1sc2c(c1C(=O)OCC)CCCCC2
(2) InChI: InChI=1/C14H18ClNO3S/c1-2-19-14(18)12-9-6-4-3-5-7-10(9)20-13(12)16-11(17)8-15/h2-8H2,1H3,(H,16,17)
(3) InChIKey: BPXRKUOHWSBUQS-UHFFFAOYAJ

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 76981-88-9