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3-CHLORODIPHENYLAMINE structure, CAS 101-17-7

3-CHLORODIPHENYLAMINE

CAS Number101-17-7

Synonyms(3-Chlor-phenyl)-phenyl-amin; EINECS 202-922-0; 3-chloro-N-phenyl-aniline; 3-Chloro-N-phenyl-benzenamine; N-(3-Chlorophenyl)aniline; MFCD00000590; N-(m-Chlorophenyl)aniline; (3-chlorophenyl)phenylamine; (3-Cl-C6H4)PhNH; m-Chlorodiphenylamine; 3-Chloro-N-phenylaniline; 3-Chlorodiphenylamine; Benzenamine,3-chloro-N-phenyl; N-(3-chlorophenyl)-N-phenylamine

Molecular FormulaC12H10N1Cl1

Molecular Weight203.67

Purity98%

Density1.2±0.1 g/cm3

Boiling Point337.8±0.0 °C at 760 mmHg

Melting Point112 °C

Flash Point

Appearance

EINECS

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Signal Word

Cat. No.: 2A-9092788 Purity: 98%
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Quality Control of [ 101-17-7 ] Purity: 98% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number101-17-7
Catalog No.2A-9092788
Chinese Name间氯二苯胺
Synonyms(3-Chlor-phenyl)-phenyl-amin; EINECS 202-922-0; 3-chloro-N-phenyl-aniline; 3-Chloro-N-phenyl-benzenamine; N-(3-Chlorophenyl)aniline; MFCD00000590; N-(m-Chlorophenyl)aniline; (3-chlorophenyl)phenylamine; (3-Cl-C6H4)PhNH; m-Chlorodiphenylamine; 3-Chloro-N-phenylaniline; 3-Chlorodiphenylamine; Benzenamine,3-chloro-N-phenyl; N-(3-chlorophenyl)-N-phenylamine
Molecular FormulaC12H10N1Cl1
Molecular Weight203.67
Purity98
Density1.2±0.1 g/cm3
Boiling Point337.8±0.0 °C at 760 mmHg
Melting Point112 °C
Storage Condition2-8°C, sealed, dry
Application3-Chlorodiphenylamine is a high-affinity myocardial Ca2+ sensitizer. 3-Chlorodiphenylamine is based on a diphenylamine structure and binds to the N-terminal domain of cardiac troponin C (cTnC) (Kd=6 µ
HTC2921440000
PubChem ID5590007
MDL NumberMFCD00000590
SMILESClc1cccc(Nc2ccccc2)c1
InChIInChI=1S/C12H10ClN/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9,14H
InChI KeyOHHIBZKYXJDQEU-UHFFFAOYSA-N
MSDSmsds/92788_1_101_17_7.pdf
Use of3-Chlorodiphenylamine is a high affinity Ca2+ sensitizer of cardiac muscle. 3-Chlorodiphenylamine is based on diphenylamine and binds to the isolated N-domain of cardiac troponin C (cTnC) (Kd=6 µM). 3-Chlorodiphenylamine is an excellent starting scaffold for the development of more potent Ca2+-sensitizing compounds due to its small size, and can be used for systolic heart failure research[1]. Properties Name 3-chloro-N-phenylaniline Synonym More Synonyms 3-Chlorodiphenylamine Biological Activity Description 3-Chlorodiphenylamine is a high affinity Ca2+ sensitizer of cardiac muscle. 3-Chlorodiphenylamine is based on diphenylamine and binds to the isolated N-domain of cardiac troponin C (cTnC) (Kd=6 µM). 3-Chlorodiphenylamine is an excellent starting scaffold for the development of more potent Ca2+-sensitizing compounds due to its small size, and can be used for systolic heart failure research[1]. Related Catalog Research Areas >> Cardiovascular Disease Signaling Pathways >> Membrane Transporter/Ion Channel >> Potassium Channel Kd: 6 µM (N-domain of cardiac troponin C (cTnC)) Kd: 10 µM (cNTnC-cSp chimera)[1] References [1]. Svetlana B Tikunova, et al. 3-Chlorodiphenylamine activates cardiac troponin by a mechanism distinct from bepridil or TFP. J Gen Physiol. 2019 Jan 7;151(1):9-17. Chemical & Physical Properties Exact Mass 203.050171 PSA 12.03000 Index of Refraction 1.643 InChIKey OHHIBZKYXJDQEU-UHFFFAOYSA-N Safety Information Hazard Codes Xn HS Code 2921440000 Synthetic Route Fentin chloride 3-Chloroaniline 3-Chlorodipheny... Literature: Iranpoor, Nasser; Firouzabadi, Habib; Davan, Elham Etemadi; Rostami, Abed; Nematollahi, Arash Journal of Organometallic Chemistry, 2013 , vol. 740, p. 123 - 130 1-Chloro-3-iodo... 3-(Trifluoromet... 3-Chlorodipheny... Literature: Fors, Brett P.; Davis, Nicole R.; Buchwald, Stephen L. Journal of the American Chemical Society, 2009 , vol. 131, p. 5766 - 5768 Bromobenzene 3-Chloroaniline 3-Chlorodipheny... Literature: MacNeil, Stephen L.; Wilson, Brian J.; Snieckus, Victor Organic Letters, 2006 , vol. 8, # 6 p. 1133 - 1136 Precursor & DownStream Precursor 9 CAS#:639-58-7 Fentin chloride CAS#:108-42-9 3-Chloroaniline CAS#:625-99-0 1-Chloro-3-iodo... CAS#:98-16-8 3-(Trifluoromet... DownStream 10 CAS#:92-39-7 2-Chlorophenoth... CAS#:7369-69-9 4-CHLOROPHENOTH... CAS#:50-53-3 Chlorpromazine CAS#:2095-17-2 didemethylchlor...
Tax Rebate17.0%
SupervisionNone. MFN tariff: 6.5%. Ordinary tariff: 30.0%
Transport InfoProduct name: Summary 2921440000. diphenylamine and its derivatives; salts thereof. VAT:17.0%. Tax rebate rate:17.0%. . MFN tariff:6.5%. General tariff:30.0%
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