3-methyl-1-nitrobutane

Modify Date: 2025-08-25 16:25:04

3-methyl-1-nitrobutane Structure
3-methyl-1-nitrobutane structure
Common Name 3-methyl-1-nitrobutane
CAS Number 627-67-8 Molecular Weight 117.14600
Density 0.943g/cm3 Boiling Point 156.3ºC at 760 mmHg
Molecular Formula C5H11NO2 Melting Point N/A
MSDS N/A Flash Point 46.1ºC

 Names

Name 3-methyl-1-nitrobutane
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.943g/cm3
Boiling Point 156.3ºC at 760 mmHg
Molecular Formula C5H11NO2
Molecular Weight 117.14600
Flash Point 46.1ºC
Exact Mass 117.07900
PSA 45.82000
LogP 1.83240
Index of Refraction 1.416
InChIKey FEJLPMVSVDSKHJ-UHFFFAOYSA-N
SMILES CC(C)CC[N+](=O)[O-]

 Safety Information

HS Code 2904209090

 Synthetic Route

~77%

3-methyl-1-nitrobutane Structure

3-methyl-1-nitr...

CAS#:627-67-8

Literature: Asada, Masaki; Obitsu, Tetsuo; Nagase, Toshihiko; Tanaka, Motoyuki; Yamaura, Yoshiyuki; Takizawa, Hiroya; Yoshikawa, Ken; Sato, Kazutoyo; Narita, Masami; Ohuchida, Shuichi; Nakai, Hisao; Toda, Masaaki Bioorganic and Medicinal Chemistry, 2010 , vol. 18, # 1 p. 80 - 90

~87%

3-methyl-1-nitrobutane Structure

3-methyl-1-nitr...

CAS#:627-67-8

Literature: Zhang, Zhiguo; Schreiner, Peter R. Synthesis, 2007 , # 16 p. 2559 - 2564

~52%

3-methyl-1-nitrobutane Structure

3-methyl-1-nitr...

CAS#:627-67-8

Literature: Tarnus, Celine; Remy, Jean-Marc; D'Orchymont, Hugues Bioorganic and Medicinal Chemistry, 1996 , vol. 4, # 8 p. 1287 - 1297

~89%

3-methyl-1-nitrobutane Structure

3-methyl-1-nitr...

CAS#:627-67-8

Literature: Chauhan, Pankaj; Kaur, Kirandeep; Bala, Neeraj; Kumar, Vikas; Chimni, Swapandeep Singh Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2011 , vol. 50, # 3 p. 304 - 309

~%

3-methyl-1-nitrobutane Structure

3-methyl-1-nitr...

CAS#:627-67-8

Literature: Seigle; Hass Industrial and Engineering Chemistry, 1939 , vol. 31, p. 2018

~%

3-methyl-1-nitrobutane Structure

3-methyl-1-nitr...

CAS#:627-67-8

Literature: Reynolds; Adkins Journal of the American Chemical Society, 1929 , vol. 51, p. 284

~%

3-methyl-1-nitrobutane Structure

3-methyl-1-nitr...

CAS#:627-67-8

Literature: Neogi; Chowdhuri Journal of the Chemical Society, 1916 , vol. 109, p. 703

~%

3-methyl-1-nitrobutane Structure

3-methyl-1-nitr...

CAS#:627-67-8

Literature: Bamberger; Scheutz Chemische Berichte, 1901 , vol. 34, p. 2032

 Customs

HS Code 2904209090
Summary 2904209090 derivatives containing only nitro or only nitroso groups。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

 Synonyms

1-Nitro-3-methylbutane
(E)-3-methyl-1-nitrobut-1-ene
CHMe2CH2CH2NO2
EINECS 211-008-0
Butane,3-methyl-1-nitro
3-methyl-1-nitro-butane
3-methylthyl-1-nitrobutane
2-methyl-4-nitrobutane
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