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Home > Products > Pharmaceutical R&D Materials > Heterocyclic Building Blocks > Ethyl2-Isothiocyanato-4,5,6,7-Tetrahydro-1-Benzothiophene-3-Carboxylate
Ethyl2-Isothiocyanato-4,5,6,7-Tetrahydro-1-Benzothiophene-3-Carboxylate structure, CAS 85716-87-6

Ethyl2-Isothiocyanato-4,5,6,7-Tetrahydro-1-Benzothiophene-3-Carboxylate

CAS Number85716-87-6

Synonymsethyl 2-isothiocyanato-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate; ethyl 4,5,6,7-tetrahydro-2-isothiocyanatobenzo[b]thiophene-3-carboxylate; 3-ethoxycarbonyl-2-isothiocyanato-4,5,6,7-tetrahydrobenzo[b]thiophene; 2-isothiocyanato-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid ethyl ester

Molecular FormulaC12H13NO2S2

Molecular Weight301.79

Purity

Density1.33g/cm3

Boiling Point445ºC at 760mmHg

Melting Point45ºC

Flash Point

Appearancesolid

EINECS

MSDSChineseEnglish

Symbol

Signal Word

Cat. No.: 2A-9084810 Purity:
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Quality Control of [ 85716-87-6 ] SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number85716-87-6
Catalog No.2A-9084810
Chinese Name2-异硫氰基-4,5,6,7-四氢-1-苯并噻吩-3-羧酸乙酯
Synonymsethyl 2-isothiocyanato-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate; ethyl 4,5,6,7-tetrahydro-2-isothiocyanatobenzo[b]thiophene-3-carboxylate; 3-ethoxycarbonyl-2-isothiocyanato-4,5,6,7-tetrahydrobenzo[b]thiophene; 2-isothiocyanato-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid ethyl ester
Molecular FormulaC12H13NO2S2
Molecular Weight301.79
Density1.33g/cm3
Boiling Point445ºC at 760mmHg
Melting Point45ºC
Appearancesolid
HTC2934999090
PubChem ID329819322
MDL NumberMFCD01650650
SMILES[s]1c2c(c(c1NC(=O)CCl)C(=O)OC)CCC(C2)C
InChI1S/C13H16ClNO3S/c1-7-3-4-8-9(5-7)19-12(15-10(16)6-14)11(8)13(17)18-2/h7H,3-6H2,1-2H3,(H,15,16)
InChI KeyKVUGJPXQNROMGZ-UHFFFAOYSA-N
NACRES CodeNA.21
UNSPSC12352200
MSDSmsds/84810_1_85716_87_6.pdf
Tax Rebate13.0%
SupervisionNone. MFN tariff: 6.5%. Ordinary tariff: 20.0%
Transport InfoProduct name: Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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