1-chloro-4-isopropyl-3-nitrobenzene

Modify Date: 2025-08-26 09:58:50

1-chloro-4-isopropyl-3-nitrobenzene Structure
1-chloro-4-isopropyl-3-nitrobenzene structure
 Common Name 1-chloro-4-isopropyl-3-nitrobenzene
CAS Number 76611-16-0 Molecular Weight 199.63400
Density 1.222g/cm3 Boiling Point 283.6ºC at 760 mmHg
Molecular Formula C9H10ClNO2 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 4-chloro-2-nitro-1-propan-2-ylbenzene
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.222g/cm3
Boiling Point 283.6ºC at 760 mmHg
Molecular Formula C9H10ClNO2
Molecular Weight 199.63400
Exact Mass 199.04000
PSA 45.82000
LogP 3.89480
Index of Refraction 1.548
InChIKey AOTRFBGCYAXAPY-UHFFFAOYSA-N
SMILES CC(C)c1ccc(Cl)cc1[N+](=O)[O-]

 Safety Information

HS Code 2904909090

 Synthetic Route

4-Isopropyl-3-nitroaniline structure

4-Isopropyl-3-n...

CAS#:92765-42-9

~16%

1-chloro-4-isopropyl-3-nitrobenzene Structure

1-chloro-4-isop...

CAS#:76611-16-0

Literature: NERVIANO MEDICAL SCIENCES S.R.L.; BRASCA, Maria Gabriella; BANDIERA, Tiziano; BERTRAND, Jay Aaron; GNOCCHI, Paola; MIRIZZI, Danilo; NESI, Marcella; PANZERI, Achille Patent: WO2012/143248 A1, 2012 ; Location in patent: Page/Page column 25 ;
4-chlorocumene structure

4-chlorocumene

CAS#:2621-46-7

~11%

4-chloro-3-nitroisopropylbenzene structure

4-chloro-3-nitr...

CAS#:76611-15-9

1-chloro-4-isopropyl-3-nitrobenzene Structure

1-chloro-4-isop...

CAS#:76611-16-0

4-Chloronitrobenzene structure

4-Chloronitrobenzene

CAS#:100-00-5

Literature: Manglik, Ajay K.; Moodie, Roy B.; Schofield, Kenneth; Tobin, Geoffrey D.; Coombes, Robert G.; Hadjigeorgiu, Panicos Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1980 , p. 1606 - 1616
4-Isopropylaniline structure

4-Isopropylaniline

CAS#:99-88-7

~%

1-chloro-4-isopropyl-3-nitrobenzene Structure

1-chloro-4-isop...

CAS#:76611-16-0

Literature: Manglik, Ajay K.; Moodie, Roy B.; Schofield, Kenneth; Tobin, Geoffrey D.; Coombes, Robert G.; Hadjigeorgiu, Panicos Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1980 , p. 1606 - 1616
4-chlorocumene structure

4-chlorocumene

CAS#:2621-46-7

~%

4-chloro-3-nitroisopropylbenzene structure

4-chloro-3-nitr...

CAS#:76611-15-9

1-(4-Chlorophenyl)ethanone structure

1-(4-Chlorophen...

CAS#:99-91-2

1-chloro-4-isopropyl-3-nitrobenzene Structure

1-chloro-4-isop...

CAS#:76611-16-0

Detail
Literature: Manglik, Ajay K.; Moodie, Roy B.; Schofield, Kenneth; Tobin, Geoffrey D.; Coombes, Robert G.; Hadjigeorgiu, Panicos Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1980 , p. 1606 - 1616

 Customs

HS Code 2904909090
Summary HS:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

 Synonyms

EINECS 278-499-1
1-Chloro-4-isopropyl-3-nitrobenzene
4-chloro-2-nitroisopropylbenzene
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