4-Chloro-N,N-dimethylaniline-2-D - CAS 2241982-89-6

Catalog:	BB017587
Product Name:	4-Chloro-N,N-dimethylaniline-2-D
CAS:	2241982-89-6
Synonyms:	4-chloro-N,N-dimethylaniline; 4-chloro-N,N-dimethylaniline

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Computed Properties

IUPAC Name:	4-chloro-N,N-dimethylaniline
Description:	4-Chloro-N,N-dimethylaniline-2-D (CAS# 2241982-89-6 ) is a useful research chemical.
Molecular Weight:	156.63
Molecular Formula:	C8H9ClND
Canonical SMILES:	CN(C)C1=CC=C(C=C1)Cl
InChI:	InChI=1S/C8H10ClN/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,1-2H3
InChI Key:	IONGEXNDPXANJD-UHFFFAOYSA-N

Publication Number	Title	Priority Date
CN-113061091-A	Preparation method of N-alkylated derivative of primary amine compound	20210316
US-2021292718-A1	Diverse carbene transferase enzyme catalysts derived from a p450 enzyme	20200312
WO-2021105603-A1	Composition made from (meth)acrylate monomers	20191125
FR-3094375-A1	Composition based on methacrylate monomer	20190328
WO-2020193603-A1	Methacrylate monomer-based composition	20190328

PMID	Publication Date	Title	Journal
18052166	20071226	The beta effect of silicon in phenyl cations	Journal of the American Chemical Society
12658653	20030404	Photochemical reaction of N,N-dimethyl-4-chloroaniline with dienes: new synthetic paths via a phenyl cation	Chemistry (Weinheim an der Bergstrasse, Germany)

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GHS Hazard Statement:	H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	95.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	155.050177
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	155.050177
Rotatable Bond Count:	1
Topological Polar Surface Area:	3.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1