Methyl 7-nitrobenzo[b]thiophene-2-carboxylate

HCID 57722418
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Basic information

CAS
34084-89-4
Standard SMILES
COC(=O)c1cc2cccc([N+](=O)[O-])c2s1
InChIKey
RJUVQMBNXODKGH-UHFFFAOYSA-N
Molecular formula
C10H7NO4S
Average molar mass
237.23 g/mol
Monoisotopic mass
237.0095787

Names & identifiers

Preferred name
Methyl 7-nitrobenzo[b]thiophene-2-carboxylate
IUPAC
methyl 7-nitro-1-benzothiophene-2-carboxylate
English name
Methyl 7-nitrobenzo[b]thiophene-2-carboxylate
Molecular formula
C10H7NO4S
Molecular weight
237.23

Names & synonyms

Methyl 7-nitrobenzo[b]thiophene-2-carboxylate34084-89-4Methyl 7-nitro-1-benzothiophene-2-carboxylate7-nitro-benzo[b]thiophene-2-carboxylic acid methyl esterMFCD13180959Methyl 7-Nitrobenzothiophene-2-carboxylateBenzo[b]thiophene-2-carboxylic acid, 7-nitro-, methyl esterMethyl7-nitrobenzo[b]thiophene-2-carboxylateSCHEMBL2893152DTXSID00727765RJUVQMBNXODKGH-UHFFFAOYSA-NAKOS016000895
Show more names
DS-5891SY111762DB-118867CS-0148771Methyl7-nitro-1-benzothiophene-2-carboxylateO11975F317735

Database identifiers

CAS
34084-89-4
PubChem CID
57722418
DTXSID
DTXSID00727765

Properties

Computed structural properties

XLogP
3
Topological polar surface area
100 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
16

Physicochemical properties

Boiling point
393.2 · 393.2±22.0 °C(Predicted)
Density
1.457 · 1.457±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C(protect from light)
Appearance
Yellow to brown Solid
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers19 total

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]

Related reactions

11 records
New reaction record

Compound notes

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