3-Nitrothiophene

Modify Date: 2025-08-26 19:11:18

3-Nitrothiophene Structure
3-Nitrothiophene structure
Common Name 3-Nitrothiophene
CAS Number 822-84-4 Molecular Weight 129.13700
Density 1.422g/cm3 Boiling Point 226ºC at 760 mmHg
Molecular Formula C4H3NO2S Melting Point N/A
MSDS N/A Flash Point 90.5ºC

 Names

Name 3-Nitrothiophene
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.422g/cm3
Boiling Point 226ºC at 760 mmHg
Molecular Formula C4H3NO2S
Molecular Weight 129.13700
Flash Point 90.5ºC
Exact Mass 128.98800
PSA 74.06000
LogP 2.17950
Index of Refraction 1.603
InChIKey SIPCFXFCVTUAID-UHFFFAOYSA-N
SMILES O=[N+]([O-])c1ccsc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XN0030100
CHEMICAL NAME :
Thiophene, 3-nitro-
CAS REGISTRY NUMBER :
822-84-4
BEILSTEIN REFERENCE NO. :
0110656
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C4-H3-N-O2-S
MOLECULAR WEIGHT :
129.14
WISWESSER LINE NOTATION :
T5SJ CNW

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Klebsiella pneumoniae
DOSE/DURATION :
100 umol/L
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 118,153,1983

 Synthetic Route

 Synonyms

Thiophene,3-nitro
EINECS 212-502-9
3-nitro-thiophene
3-Nitro-thiophen
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