Benzene,1-chloro-4-(nitromethyl)-

Modify Date: 2025-08-25 18:40:30

Benzene,1-chloro-4-(nitromethyl)- Structure
Benzene,1-chloro-4-(nitromethyl)- structure
 Common Name Benzene,1-chloro-4-(nitromethyl)-
CAS Number 29559-24-8 Molecular Weight 171.58100
Density 1.315g/cm3 Boiling Point 263.6ºC at 760mmHg
Molecular Formula C7H6ClNO2 Melting Point N/A
MSDS N/A Flash Point 113.2ºC

 Names

Name 1-chloro-4-(nitromethyl)benzene
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.315g/cm3
Boiling Point 263.6ºC at 760mmHg
Molecular Formula C7H6ClNO2
Molecular Weight 171.58100
Flash Point 113.2ºC
Exact Mass 171.00900
PSA 45.82000
LogP 2.63990
Vapour Pressure 0.0102mmHg at 25°C
Index of Refraction 1.558
InChIKey KNOZMCIHCIMLDY-UHFFFAOYSA-N
SMILES O=[N+]([O-])Cc1ccc(Cl)cc1

 Synthetic Route

4-Chlorobenzyl bromide structure

4-Chlorobenzyl ...

CAS#:622-95-7

~62%

Benzene,1-chloro-4-(nitromethyl)- Structure

Benzene,1-chlor...

CAS#:29559-24-8

Literature: Gonzalez, Ana Z.; Eksterowicz, John; Bartberger, Michael D.; Beck, Hilary P.; Canon, Jude; Chen, Ada; Chow, David; Duquette, Jason; Fox, Brian M.; Fu, Jiasheng; Huang, Xin; Houze, Jonathan B.; Jin, Lixia; Li, Yihong; Li, Zhihong; Ling, Yun; Lo, Mei-Chu; Long, Alexander M.; McGee, Lawrence R.; McIntosh, Joel; McMinn, Dustin L.; Oliner, Jonathan D.; Osgood, Tao; Rew, Yosup; Saiki, Anne Y.; Shaffer, Paul; Wortman, Sarah; Yakowec, Peter; Yan, Xuelei; Ye, Qiuping; Yu, Dongyin; Zhao, Xiaoning; Zhou, Jing; Olson, Steven H.; Medina, Julio C.; Sun, Daqing Journal of Medicinal Chemistry, 2014 , vol. 57, # 6 p. 2472 - 2488
4-Bromochlorobenzene structure

4-Bromochlorobenzene

CAS#:106-39-8

nitromethane structure

nitromethane

CAS#:75-52-5

~86%

Benzene,1-chloro-4-(nitromethyl)- Structure

Benzene,1-chlor...

CAS#:29559-24-8

Literature: Walvoord, Ryan R.; Kozlowski, Marisa C. Journal of Organic Chemistry, 2013 , vol. 78, # 17 p. 8859 - 8864
4-Chlorotoluene structure

4-Chlorotoluene

CAS#:106-43-4

~70%

Benzene,1-chloro-4-(nitromethyl)- Structure

Benzene,1-chlor...

CAS#:29559-24-8

4-Chlorobenzaldehyde structure

4-Chlorobenzaldehyde

CAS#:104-88-1

p-chlorobenzylalcohol structure

p-chlorobenzyla...

CAS#:873-76-7

Literature: Nishiwaki, Yoshiki; Sakaguchi, Satoshi; Ishii, Yasutaka Journal of Organic Chemistry, 2002 , vol. 67, # 16 p. 5663 - 5668
4-Chlorobenzyl cyanide structure

4-Chlorobenzyl ...

CAS#:140-53-4

~41%

Benzene,1-chloro-4-(nitromethyl)- Structure

Benzene,1-chlor...

CAS#:29559-24-8

Literature: Ando, Kenichi; Shimazu, Yu; Seki, Natsuko; Yamataka, Hiroshi Journal of Organic Chemistry, 2011 , vol. 76, # 10 p. 3937 - 3945
p-chlorobenzylalcohol structure

p-chlorobenzyla...

CAS#:873-76-7

~89%

Benzene,1-chloro-4-(nitromethyl)- Structure

Benzene,1-chlor...

CAS#:29559-24-8

Literature: Baruah, Apurba; Kalita, Biswajit; Barua, Nabin C. Synlett, 2000 , # 7 p. 1064 - 1066
4-Chlorobenzyl chloride structure

4-Chlorobenzyl ...

CAS#:104-83-6

~%

Benzene,1-chloro-4-(nitromethyl)- Structure

Benzene,1-chlor...

CAS#:29559-24-8

Literature: Dore,J.-C.; Viel,C. Chimica Therapeutica, 1972 , vol. 7, p. 214 - 220
4-Chlorotoluene structure

4-Chlorotoluene

CAS#:106-43-4

~%

Benzene,1-chloro-4-(nitromethyl)- Structure

Benzene,1-chlor...

CAS#:29559-24-8

Literature: Davis, Tyler A.; Vilgelm, Anna E.; Richmond, Ann; Johnston, Jeffrey N. Journal of Organic Chemistry, 2013 , vol. 78, # 21 p. 10605 - 10616
4-chlorobenzenediazonium structure

4-chlorobenzene...

CAS#:17333-85-6

~%

Benzene,1-chloro-4-(nitromethyl)- Structure

Benzene,1-chlor...

CAS#:29559-24-8

Literature: Tsuruta; Oda Kogyo Kagaku Zasshi, 1950 , vol. 53, p. 16 Chem.Abstr., 1953 , p. 5909
2-(4-chloro-phenyl)-2-nitro-indan-1,3-dione structure

2-(4-chloro-phe...

CAS#:896-31-1

~%

Benzene,1-chloro-4-(nitromethyl)- Structure

Benzene,1-chlor...

CAS#:29559-24-8

Literature: Eckstein et al. Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques, 1959 , vol. 7, p. 289,290

 Synonyms

1-chloro-4-nitromethyl-benzene
1-Chlor-4-nitromethyl-benzol
p-chlorophenyl nitromethane
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