1-(BENZYLSULFANYL)-2-NITROBENZENE

Modify Date: 2025-08-25 17:43:33

1-(BENZYLSULFANYL)-2-NITROBENZENE Structure
1-(BENZYLSULFANYL)-2-NITROBENZENE structure
Common Name 1-(BENZYLSULFANYL)-2-NITROBENZENE
CAS Number 22057-44-9 Molecular Weight 245.29700
Density 1.27g/cm3 Boiling Point 380.2ºC at 760 mmHg
Molecular Formula C13H11NO2S Melting Point 80-81ºC
MSDS N/A Flash Point 183.7ºC

 Names

Name 1-benzylsulfanyl-2-nitrobenzene
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.27g/cm3
Boiling Point 380.2ºC at 760 mmHg
Melting Point 80-81ºC
Molecular Formula C13H11NO2S
Molecular Weight 245.29700
Flash Point 183.7ºC
Exact Mass 245.05100
PSA 71.12000
LogP 4.41030
Vapour Pressure 1.22E-05mmHg at 25°C
Index of Refraction 1.648
InChIKey BNRRWFHXFMJHDW-UHFFFAOYSA-N
SMILES O=[N+]([O-])c1ccccc1SCc1ccccc1
Storage condition 2-8°C

 Safety Information

Hazard Codes Xi
HS Code 2930909090

 Synthetic Route

~91%

1-(BENZYLSULFANYL)-2-NITROBENZENE Structure

1-(BENZYLSULFAN...

CAS#:22057-44-9

Literature: Li, Zai-Shun; Wang, Wei-Min; Lu, Wei; Niu, Cong-Wei; Li, Yong-Hong; Li, Zheng-Ming; Wang, Jian-Guo Bioorganic and Medicinal Chemistry Letters, 2013 , vol. 23, # 13 p. 3723 - 3727

~55%

1-(BENZYLSULFANYL)-2-NITROBENZENE Structure

1-(BENZYLSULFAN...

CAS#:22057-44-9

Literature: Gogoi, Prasanta; Kalita, Mukul; Barman, Pranjit Synlett, 2014 , vol. 25, # 6 art. no. 47, p. 866 - 870

~62%

1-(BENZYLSULFANYL)-2-NITROBENZENE Structure

1-(BENZYLSULFAN...

CAS#:22057-44-9

Literature: Martinek, Marek; Korf, Michal; Srogl, Jiri Chemical Communications, 2010 , vol. 46, # 24 p. 4387 - 4389

~96%

1-(BENZYLSULFANYL)-2-NITROBENZENE Structure

1-(BENZYLSULFAN...

CAS#:22057-44-9

Literature: Courtin, Alfred; Tobel, Hans-Rudolf von; Auerbach, Guenther Helvetica Chimica Acta, 1980 , vol. 63, # 6 p. 1412 - 1419

~%

1-(BENZYLSULFANYL)-2-NITROBENZENE Structure

1-(BENZYLSULFAN...

CAS#:22057-44-9

Literature: Chemistry - An Asian Journal, , vol. 7, # 1 p. 45 - 49

 Customs

HS Code 2930909090
Summary 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 Synonyms

benzyl-(2-nitro-phenyl)-sulfide
Benzyl-(2-nitro-phenyl)-sulfid
benzyl(2-nitrophenyl)sulfane
2-nitrophenyl benzyl sulfide
Benzyl 2-nitrophenyl thioether
1-(Benzylsulfanyl)-2-nitrobenzene
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