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1783-81-9

1783-81-9 Structure

1783-81-9 Structure
IdentificationMore
[Name]

3-(METHYLTHIO)ANILINE
[CAS]

1783-81-9
[Synonyms]

3-AMINOTHIOANISOLE
3-(METHYLMERCAPTO)ANILINE
3-(METHYLTHIO)ANILINE
AKOS 91141
M-AMINOTHIOANISOLE
M-(METHYLTHIO)ANILINE
M-THIOANISIDINE
3-(Methylsulfanyl)aniline
3-(methylthio)-benzenamin
3-(methylthio)benzenamine
3-Methylthio
3-Methylthiobenzenamine
Aniline, 3-methylthio-
Aniline, m-(methylthio)-
Benzenamine, 3-(methylthio)-
m-(methylthio)-anilin
m-Aminophenyl methyl sulfide
m-aminophenylmethylsulfide
3-Aminothioanisole/Meta-(Methylthio)aniline
3-Aminothioanisole~3-(Methylmercapto)aniline
[EINECS(EC#)]

217-232-5
[Molecular Formula]

C7H9NS
[MDL Number]

MFCD00007793
[Molecular Weight]

139.22
[MOL File]

1783-81-9.mol
Chemical PropertiesBack Directory
[Appearance]

clear dark brown liquid
[Boiling point ]

163-165 °C16 mm Hg(lit.)
[density ]

1.13 g/mL at 25 °C(lit.)
[vapor pressure ]

1.66Pa at 25℃
[refractive index ]

n20/D 1.637(lit.)
[Fp ]

>230 °F
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[form ]

clear liquid
[pka]

3.96±0.10(Predicted)
[color ]

Colorless to Light orange to Yellow
[Specific Gravity]

1/130
[Detection Methods]

GC,NMR
[BRN ]

2078599
[InChI]

1S/C7H9NS/c1-9-7-4-2-3-6(8)5-7/h2-5H,8H2,1H3
[InChIKey]

KCHLDNLIJVSRPK-UHFFFAOYSA-N
[SMILES]

CSc1cccc(N)c1
[LogP]

1.68
[Uses]

Pharmaceutical intermediate.
[CAS DataBase Reference]

1783-81-9(CAS DataBase Reference)
[NIST Chemistry Reference]

3-CH3SC6H4NH2(1783-81-9)
[EPA Substance Registry System]

1783-81-9(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
[RIDADR ]

UN 2810 6.1/PG 3
[WGK Germany ]

3
[RTECS ]

BY6301000
[F ]

2-8-13
[Hazard Note ]

Harmful
[TSCA ]

T
[REACH Registrations]

Active
[HazardClass ]

6.1
[HazardClass ]

IRRITANT, STENCH
[HS Code ]

29309090
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
[Toxicity]

LD50 orl-qal: 750 mg/kg AECTCV 12,355,83
Hazard InformationBack Directory
[Hazard]

See aniline.
[Chemical Properties]

clear dark brown liquid
[Safety Profile]

Moderately toxic by ingestion.When heated to decomposition it emits toxic vapors ofNOx and SOx.
[Purification Methods]

Purify the aniline by fractional distillation in an inert atmostphere. It has UV max at 226 and 300nm. [Bordwell & Cooper J Am Chem Soc 74 10581952.] The N-acetyl derivative has m 78-78.5o (from aqueous EtOH). The hydrochloride has m 260-261o (aqueous EtOH/HCl) or m 225-227o (EtOH/Et2O). [Beilstein 13 H 533, 13 III 1221, 13 IV 1289.]
Spectrum DetailBack Directory
[Spectrum Detail]

3-(METHYLTHIO)ANILINE(1783-81-9)MS
3-(METHYLTHIO)ANILINE(1783-81-9)1HNMR
3-(METHYLTHIO)ANILINE(1783-81-9)13CNMR
3-(METHYLTHIO)ANILINE(1783-81-9)IR1
3-(METHYLTHIO)ANILINE(1783-81-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-(Methylmercapto)aniline, 97%(1783-81-9)
[Alfa Aesar]

3-(Methylthio)aniline, 97%(1783-81-9)
[Sigma Aldrich]

1783-81-9(sigmaaldrich)
[TCI AMERICA]

3-(Methylthio)aniline,>98.0%(GC)(T)(1783-81-9)
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