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4-Isopropylaniline

4-Isopropylaniline structure

CAS No:
99-88-7
Formula:
C9H13N
Chemical Name:
4-Isopropylaniline
Synonyms:
Benzenamine,4-(1-methylethyl)-;Cumidine;4-(1-Methylethyl)benzenamine;4-Aminocumene;4-Amino-1-isopropylbenzene;β-(4-Aminophenyl)propane;p-Cumidine;p-Isopropylaniline;4-Isopropylaniline;4-Aminoisopropylbenzene;1-Amino-4-isopropylbenzene;4-Isopropylphenylamine;4-(2-Propyl)aniline;4-Isopropylbenzenamine;NSC 7198;[4-(1-Methylethyl)phenyl]amine;4-(Propan-2-yl)aniline;p-Aminocumene
Categories:
Inorganic Chemistry > Elementary Substance

Description

clear pale brown to red-brown liquid

Para-isopropylaniline is a substituted aniline carrying an isopropyl group at position 4. It is a metabolite of isoproturon. It has a role as a bacterial xenobiotic metabolite and a marine xenobiotic metabolite.

4-Isopropylaniline Basic Attributes

Molecular Weight：

135.21

Exact Mass：

135.21

EC Number：

202-797-2

UNII：

0D54T7V7XL

NSC Number：

7198

DSSTox ID：

DTXSID20243932

HScode：

2921491000

Characteristics

PSA：

XLogP3：

2.2

Appearance：

light brown clear liquid

Density：

1.0±0.1 g/cm3

Melting Point：

163-164 °C @ Solvent: Ethyl acetate, Hexane

Boiling Point：

225 °C

Flash Point：

92.2±0.0 °C

Refractive Index：

1.543

Water Solubility：

insoluble

Storage Conditions：

Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from light.

Vapor Pressure：

0.08 mmHg

Safety Information

Transport codes：

UN 1993 / PGIII

wgk germany：

hazard class code：

R20/21/22

safety instructions：

S26-S36-S36/37

Marks：

Xn:Harmful;

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions. Light sensitive.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H302 (15.22%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P321, P332+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.|Danger|H227: Combustible liquid [Warning Flammable liquids]|P201, P202, P210, P260, P264, P270, P273, P280, P281, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P307+P311, P308+P313, P310, P312, P314, P321, P322, P330, P337+P313, P363, P370+P378, P391, P403+P235, P405, and P501

Drug Information

MeSH Entry Terms：

4-isopropylaniline

4-Isopropylaniline Use and Manufacturing

Use Classification：

Pesticides -> Herbicides -> Urea herbicides -> Phenylurea herbicides -> Transformation products

Agrochemical：

4-Isopropylaniline is a known environmental transformation product of Isoproturon, Isoproturon-didemethyl, and Isoproturon-monodemethyl.

Computed Properties

Molecular Weight:135.21
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:135.104799419
Monoisotopic Mass:135.104799419
Topological Polar Surface Area:26
Heavy Atom Count:10
Complexity:90.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 99-88-7

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4-Isopropylaniline

CAS No.: 99-88-7

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Guide of 4-Isopropylaniline

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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4-Isopropylaniline

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