CAS No.554-00-7,2,4-Dichloroaniline Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	554-00-7
Name:	2,4-Dichloroaniline
Article Data:	109

Formula:	C₆H₅Cl₂N
Molecular Weight:	162.018
Synonyms:	Aniline,2,4-dichloro- (6CI,8CI);2,4-Dichlorobenzenamine;2,4-Dichlorophenylamine;4-Chloro-2-chloroaniline;NSC 8756;o,p-Dichloroaniline;
EINECS:	209-057-8
Density:	1.401 g/cm³
Melting Point:	59-62°C(lit.)
Boiling Point:	242.1 °C at 760 mmHg
Flash Point:	100.2 °C
Solubility:	soluble in alcohol, ether
Appearance:	white needle crystal
Hazard Symbols:	T,N,Xi
Risk Codes:	23/24/25-33-50/53
Safety:	28-36/37-45-60-61
Transport Information:	UN 3442 6.1/PG 2
PSA:	26.02000
LogP:	3.15680

Synthetic route

: 611-06-3
2,4-dichloronitrobenzene

: 554-00-7
2,4-Dichloroaniline

Conditions

Conditions	Yield
With hydrogen In ethanol; water at 25℃; under 760.051 Torr; for 3h; Autoclave;	99.9%
With hydrogen In tetrahydrofuran; water at 120℃; under 22502.3 Torr; for 4h; Autoclave;	99%
Stage #1: 2,4-dichloronitrobenzene With 2.0%Pt-0.5%Rh/C In methanol for 0.0833333h; Stage #2: With hydrogen In methanol at 30℃; under 760.051 Torr; for 2.5h; Catalytic behavior; Reagent/catalyst;	98.9%

: 1965-25-9
1-azido-2,4-dichlorobenzene

: 554-00-7
2,4-Dichloroaniline

Conditions

Conditions	Yield
With chloro-trimethyl-silane; sodium iodide In acetonitrile for 0.166667h; Ambient temperature;	97%
With sodium sulfide; water for 0.5h; Reflux;	95%
With methanol; samarium; iodine for 6h; Ambient temperature;	86%

: 296778-52-4
tert-butyl (2,4-dichlorophenyl)carbamate

: 554-00-7
2,4-Dichloroaniline

Conditions

Conditions	Yield
With tin(II) trifluoromethanesulfonate In dichloromethane at 20℃; for 2h;	95%

: 106-47-8
4-chloro-aniline

: 554-00-7
2,4-Dichloroaniline

Conditions

Conditions	Yield
With sodium perborate; potassium chloride; sodium vanadate In acetic acid at 20℃; for 2.66667h; Chlorination;	93%

: 13665-50-4
2,2',4,4'-Tetrachloroazobenzene

: 554-00-7
2,4-Dichloroaniline

Conditions

Conditions	Yield
With perchloric acid In isopropyl alcohol; acetonitrile at 25℃; for 0.933333h; pH=2; Inert atmosphere; Irradiation;	79%

: 36984-15-3
2-(2,4-dichlorophenoxy)propanamide

: 554-00-7
2,4-Dichloroaniline

Conditions

Conditions	Yield
With potassium hydroxide In dimethyl sulfoxide at 140℃; for 3h; Green chemistry;	77%
With potassium hydroxide at 140℃;	114.3 mg

: 120-83-2
2,4-dichlorophenol

: 554-00-7
2,4-Dichloroaniline

Conditions

Conditions	Yield
With potassium carbonate; potassium iodide; Chloroacetamide In N,N-dimethyl-formamide at 90 - 150℃; for 4h; Smiles Aromatic Rearrangement;	62%
Multi-step reaction with 2 steps 1: potassium carbonate / acetone / Inert atmosphere; Reflux 2: 3,6‐di‐tert‐butyl‐9‐mesityl‐10‐phenylacridin‐10‐ium tetrafluoroborate; ammonium carbamate / water; 1,2-dichloro-ethane / 24 h / 33 °C / 760.05 Torr / Sealed tube; Inert atmosphere; Irradiation View Scheme

: 95-51-2
2-Chloroaniline

A: 554-00-7
2,4-Dichloroaniline

B: 608-31-1
2,6-Dichloroaniline

Conditions

Conditions	Yield
With chlorine In chlorobenzene at 15℃; for 6h; Solvent; Reagent/catalyst; Temperature;	A 60% B 35%

: 116278-63-8
N-(4-chlorophenyl)-O-pivaloylhydroxylamine

A: 28443-50-7
2-amino-5-chlorophenol

B: 554-00-7
2,4-Dichloroaniline

C: 116278-66-1
N-(4-chloro-2-hydroxyphenyl)-2,2-dimethylpropanamide

D: 106-51-4
p-benzoquinone

Conditions

Conditions	Yield
In water; acetonitrile at 40℃; Rate constant; pH=1.0, μ=0.5M; other pH values; other N-aryl-O-pivaloylhydroxylamines;	A 3.6% B 53.2% C 8.3% D 3.8%

...Expand

: 116278-63-8
N-(4-chlorophenyl)-O-pivaloylhydroxylamine

A: 554-00-7
2,4-Dichloroaniline

B: 116278-66-1
N-(4-chloro-2-hydroxyphenyl)-2,2-dimethylpropanamide

C: 106-51-4
p-benzoquinone

Conditions

Conditions	Yield
In water; acetonitrile at 40℃; pH=4.7 (1:1 HOAc/KOAc);	A 49.6% B 26.2% C 7%

...Expand

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

This chemical is called 2,4-Dichloroaniline, and its CAS registry number is 554-00-7. With the classification code Mutation data, its product categories are Intermediates of Dyes and Pigments; Chlorobenzene Series; Organics; Amines; AromaticsPesticides & Metabolites; Chemical Class; D; DAlphabetic; DIA - DIC; C2 to C6; Nitrogen Compounds. It should be stored at 0-6°C. Ensure that the surroundings is ventilated and dry. Moreover, this chemical could be obtained by the acetanilide.

Other characteristics of the 2,4-Dichloroaniline can be summarised as followings: (1)ACD/LogP: 2.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.74; (4)ACD/LogD (pH 7.4): 2.74; (5)ACD/BCF (pH 5.5): 71.32; (6)ACD/BCF (pH 7.4): 71.34; (7)ACD/KOC (pH 5.5): 738.08; (8)ACD/KOC (pH 7.4): 738.32; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.02 Å²; (13)Index of Refraction: 1.613; (14)Molar Refractivity: 40.27 cm³; (15)Molar Volume: 115.6 cm³; (16)Polarizability: 15.96×10^-24cm³; (17)Surface Tension: 48.3 dyne/cm; (18)Density: 1.401 g/cm³; (19)Flash Point: 100.2 °C; (20)Enthalpy of Vaporization: 47.9 kJ/mol; (21)Boiling Point: 242.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0347 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. Besides, it's very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Its container must be disposed of as hazardous waste. Avoid releasing it to the environment. Refer to special instructions / safety data sheets.

You can still convert the following datas into molecular structure:
1.SMILES: Clc1cc(Cl)c(N)cc1
2.InChI: InChI=1/C6H5Cl2N/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2
3.InChIKey: KQCMTOWTPBNWDB-UHFFFAOYAS

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
cat	LDLo	oral	113mg/kg (113mg/kg)	BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS" LUNGS, THORAX, OR RESPIRATION: CYANOSIS BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN	Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 72, Pg. 241, 1913.
mouse	LD50	intraperitoneal	400mg/kg (400mg/kg)	BEHAVIORAL: MUSCLE WEAKNESS LUNGS, THORAX, OR RESPIRATION: CYANOSIS LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	Office of Toxic Substances Report. Vol. OTS,
mouse	LD50	oral	400mg/kg (400mg/kg)	BEHAVIORAL: MUSCLE WEAKNESS LUNGS, THORAX, OR RESPIRATION: CYANOSIS LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	Office of Toxic Substances Report. Vol. OTS,
rat	LD50	intraperitoneal	400mg/kg (400mg/kg)	BEHAVIORAL: MUSCLE WEAKNESS LUNGS, THORAX, OR RESPIRATION: CYANOSIS LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	Office of Toxic Substances Report. Vol. OTS,
rat	LD50	oral	1600mg/kg (1600mg/kg)	BEHAVIORAL: MUSCLE WEAKNESS LUNGS, THORAX, OR RESPIRATION: CYANOSIS LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	Office of Toxic Substances Report. Vol.