Basic information
- CAS
7311-95-7- Standard SMILES
CCOC(=O)c1c(N)sc2ccccc12- InChIKey
XNASJEQIJMDBQN-UHFFFAOYSA-N- Molecular formula
- C11H11NO2S
- Average molar mass
- 221.28 g/mol
- Monoisotopic mass
- 221.05104959
Names & identifiers
- Preferred name
- Ethyl 2-amino-1-benzothiophene-3-carboxylate
- IUPAC
- ethyl 2-amino-1-benzothiophene-3-carboxylate
- English name
- Ethyl-2-amino-benzo(b)thiophene-3-carboxylate
- Molecular formula
- C11H11NO2S
- Molecular weight
- 221.28
Names & synonyms
7311-95-7ethyl 2-amino-1-benzothiophene-3-carboxylateDTXSID70351399RefChem:342580DTXCID50302465676-399-6ethyl 2-aminobenzo[b]thiophene-3-carboxylate2-amino-benzo[b]thiophene-3-carboxylic acid ethyl esterethyl-2-amino-benzo(b)thiophene-3-carboxylateMFCD00102506ethyl 2-aminobenzothiophene-3-carboxylateethyl 2-aminobenzo(b)thiophene-3-carboxylate
Show more names
AKOS B000948ART-CHEM-BB B000948ETHYL-2-AMINO-BENZO(B)THI...ETHYL-2-AMINO-BENZO(B)THIOPHENE-3-CARBOX2-Amino-benzo[b]thiophene-3-carboxylic acidETHYL-2-AMINO-BENZO(B)THIOPENE-3-CARBOXYLATE2-amino-3-benzothiophenecarboxylic acid ethyl ester2-aminobenzothiophene-3-carboxylic acid ethyl ester
2-aminobenz2-Aminobenzo[b]thiophene-3-carboxylic acid ethyl esterOprea1_006777Oprea1_140740IFLab1_000972SCHEMBL2307828XNASJEQIJMDBQN-UHFFFAOYSA-NHMS1414M04
Database identifiers
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- Melting point
- 107 · 107-108 °C
- Boiling point
- 373.4 · 373.4±22.0 °C(Predicted)
- Density
- 1.303 · 1.303±0.06 g/cm3(Predicted)
- storage temp.
- 30 °C · Store below +30°C.
- form
- solid
- pka
- 1.24 · 1.24±0.10(Predicted)
- Appearance
- yellow solid
- InChI
- 1S/C11H11NO2S/c1-2-14-11(13)9-7-5-3-4-6-8(7)15-10(9)12/h3-6H,2,12H2,1H3
- InChIKey
- XNASJEQIJMDBQN-UHFFFAOYSA-N
- UNSPSC Code
- 12352108 · 12352108
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- WGK Germany
- 2 · WGK 2
- HazardClass
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (66.7%)
Safety data
- wgk
- WGK 2
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Suppliers50 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
郑州格镭生物科技有限公司19903857099; 19937938981
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
扬州瑞宏生物科技有限公司0514-015380367604 15380367604 · [email protected]
上海特伯化学科技有限公司+86-21-60341587 · [email protected]
Related reactions
52 records
Compound notes
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