4-Isopropylnitrobenzene

HCID 15749
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Basic information

CAS
1817-47-6
Standard SMILES
CC(C)c1ccc([N+](=O)[O-])cc1
InChIKey
JXMYUMNAEKRMIP-UHFFFAOYSA-N
Molecular formula
C9H11NO2
Average molar mass
165.19 g/mol
Monoisotopic mass
165.07897859

Names & identifiers

Preferred name
4-Isopropylnitrobenzene
IUPAC
1-nitro-4-propan-2-ylbenzene
English name
1-Isopropyl-4-nitrobenzene
Molecular formula
C9H11NO2
Molecular weight
165.19

Names & synonyms

1-Isopropyl-4-nitrobenzene1817-47-64-Nitrocumenep-NitrocumeneBenzene, 1-(1-methylethyl)-4-nitro-4-ISOPROPYLNITROBENZENECumene, p-nitro-p-Nitroisopropylbenzene4-Nitroisopropylbenzenep-Isopropylnitrobenzene2-(p-Nitrophenyl)propane4MYK0B424T
Show more names
4-NitrocumolPARA-NITROCUMENE4-Nitrocumene>4-Isopropylmtrobenzene
4-ISOPROPYL-1-NITROBENZENE1-(1-Methylethyl)-4-nitrobenzeneNSC 14494NSC-14494DTXSID60619914-NITRO-1-ISOPROPYLBENZENEEINECS 217-326-6RefChem:524342

Database identifiers

CAS
1817-47-6
PubChem CID
15749
DTXSID
DTXSID6061991
UNII
4MYK0B424T
EC Number
217-326-6
Nikkaji
J96.530H

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
45.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
12

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physicochemical properties

Melting point
35.17 °C · 35.17°C (estimate)
Boiling point
106 · 106-107 °C11 mm Hg(lit.)
Density
1.09 g/mL · 1.09 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.537(lit.)
Flash point
230 °F · >230 °F
storage temp.
2 · 2-8°C

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationChemical: Benzene, 1-(1-methylethyl)-4-nitro-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesSkin Irrit. 2 (97.6%)

Safety data

wgk
3
tsca
TSCA listed
hs_code
2909309090
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzene, 1-(1-methylethyl)-4-nitro-: ACTIVE

Applications

Uses1-ISOPROPYL-4-NITROBENZENE is an intermediate in the production of the herbicide isopropyl urethane.

Upstream & downstream products

Suppliers57 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

Related reactions

3 records
New reaction record

Compound notes

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