CAS 1783-81-9|3-(Methylmercapto)aniline

Introduction：Basic information about CAS 1783-81-9|3-(Methylmercapto)aniline, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Customs
6. Articles2
7. Synonyms

Common Name	3-(Methylmercapto)aniline
CAS Number	1783-81-9	Molecular Weight	139.218
Density	1.1±0.1 g/cm3	Boiling Point	292.6±0.0 °C at 760 mmHg
Molecular Formula	C₇H₉NS	Melting Point	/
MSDS	ChineseUSA	Flash Point	113.9±22.6 °C
Symbol	GHS07	Signal Word	Warning

Names

Name	3-methylsulfanylaniline
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.1±0.1 g/cm3
Boiling Point	292.6±0.0 °C at 760 mmHg
Molecular Formula	C₇H₉NS
Molecular Weight	139.218
Flash Point	113.9±22.6 °C
Exact Mass	139.045563
PSA	51.32000
LogP	1.45
Vapour Pressure	0.0±0.6 mmHg at 25°C
Index of Refraction	1.612
InChIKey	KCHLDNLIJVSRPK-UHFFFAOYSA-N
SMILES	CSc1cccc(N)c1

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: BY6301000

CHEMICAL NAME :: Aniline, m-(methylthio)-

CAS REGISTRY NUMBER :: 1783-81-9

BEILSTEIN REFERENCE NO. :: 2078599

LAST UPDATED :: 199701

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C7-H9-N-S

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Bird - quail

DOSE/DURATION :: 750 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AECTCV Archives of Environmental Contamination and Toxicology. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 070944) V.1- 1973- Volume(issue)/page/year: 12,355,1983

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Bird - wild bird species

DOSE/DURATION :: 750 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AECTCV Archives of Environmental Contamination and Toxicology. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 070944) V.1- 1973- Volume(issue)/page/year: 12,355,1983

Safety Information

Symbol	GHS07
Signal Word	Warning
Hazard Statements	H315-H319-H335
Precautionary Statements	P261-P305 + P351 + P338
Personal Protective Equipment	Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes	Xi:Irritant;
Risk Phrases	R36/37/38
Safety Phrases	S26-S37/39
RIDADR	UN 2810 6.1/PG 3
WGK Germany	3
RTECS	BY6301000
Hazard Class	6.1
HS Code	2930909090

Customs

HS Code	2930909090
Summary	2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Articles2

Selective COX-2 inhibitors. Part 1: synthesis and biological evaluation of phenylazobenzenesulfonamides.

Bioorg. Med. Chem. Lett. 16 , 4440-3, (2006)

A series of phenylazobenzenesulfonamide derivatives were designed and synthesized for the evaluation as selective cyclooxygenase-2 (COX-2) inhibitors in a cellular assay using human whole blood (HWB) ...

Microbial Flavoprotein Monooxygenases as Mimics of Mammalian Flavin-Containing Monooxygenases for the Enantioselective Preparation of Drug Metabolites.

Drug Metab. Dispos. 44 , 1270-6, (2016)

Mammalian flavin-containing monooxygenases, which are difficult to obtain and study, play a major role in detoxifying various xenobiotics. To provide alternative biocatalytic tools to generate flavin-...

Synonyms

m-Aminophenyl methyl sulfide

Benzenamine, 3- (methylthio)-

EINECS 217-232-5

Benzenamine, 3-(methylthio)-

3-(Methylsulfanyl)aniline

3-(Methylmercapto)aniline

3-methylthiophenylamine

m-Aminothioanisole

3-Methylthiobenzenamine

3-Aminothioanisole

3-Methylmercaptoaniline

3-(Methylthio)aniline

MFCD00007793

m-thioanisidine

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