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141-85-5

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141-85-5 Usage

General Description

3-Chloroaniline hydrochloride is a chemical compound that consists of a benzene ring with a chlorine atom and an amino group attached to it, and a hydrochloride salt. It is commonly used in the synthesis of dyes and pharmaceuticals. 3-CHLOROANILINE HYDROCHLORIDE is a pale yellow to light brown solid and is highly soluble in water. It is known to be toxic and can cause irritation to the skin, eyes, and respiratory system upon exposure. Its use and handling should be done with proper safety precautions in place.

Check Digit Verification of cas no

The CAS Registry Mumber 141-85-5 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 1,4 and 1 respectively; the second part has 2 digits, 8 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 141-85:
(5*1)+(4*4)+(3*1)+(2*8)+(1*5)=45
45 % 10 = 5
So 141-85-5 is a valid CAS Registry Number.
InChI:InChI=1/C6H6ClN.ClH/c7-5-2-1-3-6(8)4-5;/h1-4H,8H2;1H

141-85-5 Well-known Company Product Price

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  • Alfa Aesar

  • (L13484)  3-Chloroaniline hydrochloride, 97%   

  • 141-85-5

  • 25g

  • 230.0CNY

  • Detail
  • Alfa Aesar

  • (L13484)  3-Chloroaniline hydrochloride, 97%   

  • 141-85-5

  • 100g

  • 713.0CNY

  • Detail

141-85-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-CHLOROANILINE HYDROCHLORIDE

1.2 Other means of identification

Product number -
Other names Benzenamine, 3-chloro-, hydrochloride

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:141-85-5 SDS

141-85-5Relevant articles and documents

Selective and Additive-Free Hydrogenation of Nitroarenes Mediated by a DMSO-Tagged Molecular Cobalt Corrole Catalyst

Sch?fberger, Wolfgang,Timelthaler, Daniel,Topf, Christoph

supporting information, p. 2114 - 2120 (2021/07/22)

We report on the first cobalt corrole that effectively mediates the homogeneous hydrogenation of structurally diverse nitroarenes to afford the corresponding amines. The given catalyst is easily assembled prior to use from 4-tert-butylbenzaldehyde and pyrrole followed by metalation of the resulting corrole macrocycle with cobalt(II) acetate. The thus-prepared complex is self-contained in that the hydrogenation protocol is free from the requirement for adding any auxiliary reagent to elicit the catalytic activity of the applied metal complex. Moreover, a containment system is not required for the assembly of the hydrogenation reaction set-up as both the autoclave and the reaction vessels are readily charged under a regular laboratory atmosphere.

Weak halogen bonding in solid haloanilinium halides probed directly via chlorine-35, bromine-81, and iodine-127 NMR spectroscopy

Attrell, Robert J.,Widdifield, Cory M.,Korobkov, Ilia,Bryce, David L.

experimental part, p. 1641 - 1653 (2012/06/30)

A series of monohaloanilinium halides exhibiting weak halogen bonding (XB) has been prepared and characterized by 35Cl, 81Br, and 127I solid-state nuclear magnetic resonance (SSNMR) spectroscopy in magnetic fields of up to 21.1 T. The quadrupolar and chemical shift (CS) tensor parameters for halide ions (Cl-, Br-, I-) which act as electron density donors in the halogen bonds of these compounds are measured to provide insight into the possible relationship between halogen bonding and NMR observables. The NMR data for certain series of related compounds are strongly indicative of when such compounds pack in the same space group, thus providing practical structural information. Careful interpretation of the NMR data in the context of novel and previously available X-ray crystallographic data, and new gauge-including projector-augmented-wave density functional theory (GIPAW DFT) calculations has revealed several notable trends. When a series of related compounds pack in the same space group, it has been possible to interpret trends in the NMR data in terms of the strength of the halogen bond. For example, in isostructural series, the halide quadrupolar coupling constant was found to increase as the halogen bond weakens. In the case of a series of haloanilinium bromides, the 81Br isotropic chemical shift and CS tensor span both decrease as the bromide-halogen XB is weakened. These trends were reproduced using both GIPAW DFT and cluster-model calculations of the bromide ion magnetic shielding tensor. Such trends are particularly exciting given the well-known role that NMR has played historically in the characterization of hydrogen bonding.

Concurrent primary and secondary deuterium kinetic isotope effects in anilinolysis of O-aryl methyl phosphonochloridothioates

Ul Hoque, Md. Ehtesham,Guha, Arun Kanti,Kim, Chan Kyung,Lee, Bon-Su,Lee, Hai Whang

experimental part, p. 2919 - 2925 (2011/02/28)

The nucleophilic substitution reactions of Y-O-aryl methyl phosphonochloridothioates with substituted anilines (XC6H 4NH2) and deuterated anilines (XC6H 4ND2) are investigated kinetically in acetonitrile at 55.0°C. The Hammett and Bronsted plots for substituent (X) variations in the nucleophiles are biphasic concave downwards with a break region between X = H and 4-Cl. The deuterium kinetic isotope effects (DKIEs) are primary normal (kH/kD = 1.03-1.30) for stronger nucleophiles (X = 4-MeO, 4-Me and H), and extremely large secondary inverse (kH/kD = 0.367-0.567) for weaker nucleophiles (X = 4-Cl, 3-Cl and 3-NO2). The cross-interaction constants are negative (ρXY(H) = -0.95 and ρXY(D) = -1.11) for stronger nucleophiles, while positive (ρXY(H) = +0.77 and ρXY(D) = +0.21) for weaker nucleophiles. These kinetic results indicate that the mechanism changes from a concerted process involving frontside nucleophilic attack for stronger nucleophiles to a stepwise process with a rate-limiting leaving group expulsion from the intermediate involving backside attack for weaker nucleophiles. A hydrogen-bonded, four-center-type transition state (TS) is suggested for a frontside attack, while a trigonal bipyramidal pentacoordinate TS is suggested for a backside attack. The unusually small DKIEs, as small as or equal to 0.4, for weaker nucleophiles seem to be ascribed to severe steric congestion in the TS.

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