Completing data — refresh the page later to see the latest
Basic information
- CAS
5832-01-9- Standard SMILES
COC(=O)c1ccc([N+](=O)[O-])s1- InChIKey
ROZWUNOYMSUTKS-UHFFFAOYSA-N- Molecular formula
- C6H5NO4S
- Average molar mass
- 187.18 g/mol
- Monoisotopic mass
- 186.99392864
Names & identifiers
- Preferred name
- 2-Thiophenecarboxylic acid, 5-nitro-, methyl ester
- IUPAC
- methyl 5-nitrothiophene-2-carboxylate
- English name
- 5-NITROTHIOPHENE-2-CARBOXYLICMETHYLESTER
- Molecular formula
- C6H5NO4S
- Molecular weight
- 187.17
Names & synonyms
5832-01-9Methyl 5-nitro-2-thenoate2-Thiophenecarboxylic acid, 5-nitro-, methyl esterL9B8J5U8CFDTXSID10207048RefChem:1064867DTXCID10129539227-412-5Methyl 5-nitrothiophene-2-carboxylate5-Nitrothiophene-2-carboxylic acid methyl esterMethyl 5-nitro-2-thiophenecarboxylateMFCD02702303
Show more names
Methyl-5-nitrothiophen-2-carboxylateMethyl-5-nitro-2-thenoatMethyl 5-Nitro-2-thiophen5-NITROTHIOPHENE-2-CARBOXYLICMETHYLESTER5-Nitro-2-thiophenecarboxylic acid methyl5-Nitro-2-thiophenecarboxylic acid methyl 98%5-Nitro-2-thiophenecarboxylic acid methyl ester
5-Nitro-2-(methoxycarbonyl)thiopheneSCHEMBL1483376EINECS 227-412-5Methyl 5-nitro-2-thienylcarboxylateCCG-45866Methyl 5-nitrothaphene-2-carboxylatemethyl 5-nitrothiophen-2-carboxylateAKOS000278519
Database identifiers
- CAS
5832-01-9
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Melting point
- 99 °C · 99 °C
- Boiling point
- 306.9 · 306.9±22.0 °C(Predicted)
- Density
- 1.454 · 1.454±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Appearance
- Off-white to yellow Solid
- InChI
- InChI=1S/C6H5NO4S/c1-11-6(8)4-2-3-5(12-4)7(9)10/h2-3H,1H3
- InChIKey
- ROZWUNOYMSUTKS-UHFFFAOYSA-N
- SMILES
- C1(C(OC)=O)SC([N+]([O-])=O)=CC=1
- FDA UNII
- 9 B8J5U8CF · L9B8J5U8CF
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers62 total
韶远科技(上海)有限公司4000665055 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
上海德默医药科技有限公司400-021-7337 2355568890 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
上海钰康生物科技有限公司
Related reactions
6 records
Compound notes
Loading…