N,N-dimethyl-4-(phenylsulfanylmethyl)aniline

Modify Date: 2025-09-11 18:57:18

N,N-dimethyl-4-(phenylsulfanylmethyl)aniline Structure
N,N-dimethyl-4-(phenylsulfanylmethyl)aniline structure
Common Name N,N-dimethyl-4-(phenylsulfanylmethyl)aniline
CAS Number 956-71-8 Molecular Weight 243.36700
Density 1.1g/cm3 Boiling Point 378.9ºC at 760 mmHg
Molecular Formula C15H17NS Melting Point N/A
MSDS N/A Flash Point 183ºC

 Names

Name N,N-dimethyl-4-(phenylsulfanylmethyl)aniline
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.1g/cm3
Boiling Point 378.9ºC at 760 mmHg
Molecular Formula C15H17NS
Molecular Weight 243.36700
Flash Point 183ºC
Exact Mass 243.10800
PSA 28.54000
LogP 4.04490
Index of Refraction 1.62
InChIKey GKZRKLAIOOGLFV-UHFFFAOYSA-N
SMILES CN(C)c1ccc(CSc2ccccc2)cc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XU6020000
CHEMICAL NAME :
p-Toluidine, N,N-dimethyl-alpha-(phenylthio)-
CAS REGISTRY NUMBER :
956-71-8
BEILSTEIN REFERENCE NO. :
2111166
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C15-H17-N-S
MOLECULAR WEIGHT :
243.39
WISWESSER LINE NOTATION :
1N1&R D1SR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
180 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#03538

 Synthetic Route

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N,N-dimethyl-4-(phenylsulfanylmethyl)aniline Structure

N,N-dimethyl-4-...

CAS#:956-71-8

Literature: Pollak,I.E.; Grillot,G.F. Journal of Organic Chemistry, 1967 , vol. 32, p. 3101 - 3108

~%

N,N-dimethyl-4-(phenylsulfanylmethyl)aniline Structure

N,N-dimethyl-4-...

CAS#:956-71-8

Literature: Grillot,G.F.; Lau,P.T.S. Journal of Organic Chemistry, 1965 , vol. 30, p. 28 - 33

~%

N,N-dimethyl-4-(phenylsulfanylmethyl)aniline Structure

N,N-dimethyl-4-...

CAS#:956-71-8

Literature: Grillot,G.F.; Lau,P.T.S. Journal of Organic Chemistry, 1965 , vol. 30, p. 28 - 33

~%

N,N-dimethyl-4-(phenylsulfanylmethyl)aniline Structure

N,N-dimethyl-4-...

CAS#:956-71-8

Detail
Literature: Cocco, Maria Teresa; Plumitallo, Antonio; Secci, Mario Gazzetta Chimica Italiana, 1981 , vol. 111, # 11/12 p. 519 - 520

~%

N,N-dimethyl-4-(phenylsulfanylmethyl)aniline Structure

N,N-dimethyl-4-...

CAS#:956-71-8

Literature: Mangini; Passerini Journal of the Chemical Society, 1956 , p. 4954,4957

 Synonyms

p-Dimethylaminobenzylphenylsulfid
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