| Identification | More | [Name]
THIOBENZAMIDE | [CAS]
2227-79-4 | [Synonyms]
AKOS BBS-00004779
BENZENE-1-CARBOTHIOAMIDE
BENZENECARBOTHIOAMIDE
THIOBENZAMIDE
Benzamide, thio-
Benzothiamide
Benzothioamide
Phenylthioamide
thio-benzamid
Tiobenzamide
Thiobenzamide,97% | [EINECS(EC#)]
218-765-6 | [Molecular Formula]
C7H7NS | [MDL Number]
MFCD00008060 | [Molecular Weight]
137.2 | [MOL File]
2227-79-4.mol |
| Chemical Properties | Back Directory | [Appearance]
Yellowish-green crystalline powder | [Melting point ]
113-117 °C (lit.) | [Boiling point ]
180 °C | [density ]
1.1364 (rough estimate) | [refractive index ]
1.5500 (estimate) | [Fp ]
120°C | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
Crystalline Powder | [pka]
12.68±0.29(Predicted) | [color ]
yellow
| [Water Solubility ]
Slightly soluble in water. | [BRN ]
606021 | [InChI]
InChI=1S/C7H7NS/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9) | [InChIKey]
QIOZLISABUUKJY-UHFFFAOYSA-N | [SMILES]
C1(C(N)=S)=CC=CC=C1 | [CAS DataBase Reference]
2227-79-4(CAS DataBase Reference) | [EPA Substance Registry System]
Benzenecarbothioamide (2227-79-4) |
| Safety Data | Back Directory | [Hazard Codes ]
T | [Risk Statements ]
R25:Toxic if swallowed. | [Safety Statements ]
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . | [RIDADR ]
UN 2811 6.1/PG 3
| [WGK Germany ]
3
| [RTECS ]
CV5860000
| [TSCA ]
Yes | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29309090 | [Storage Class]
6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | [Hazard Classifications]
Acute Tox. 3 Oral | [Toxicity]
mnt-mus-orl 180 mmol/kg MUREAV 192,141,87 |
| Raw materials And Preparation Products | Back Directory | [Raw materials]
Benzenecarbothioamide, N-(4-methylphenyl)--->1,3,2-Dioxaphosphorinane, 5,5-dimethyl-2-[(phenylthioxomethyl)thio]-, 2-sulfide (9CI)-->Phenyl-3H-1,2,4-dithiazol-3-one | [Preparation Products]
4-(Morpholin-4-ylmethyl)-1,3-thiazol-2-amine-->2-Phenyl-1,3-thiazole-4-carbaldehyde-->2-Phenyl-1,3-thiazole-4-carbonyl chloride-->2-Phenyl-1,3-thiazole-4-carbohydrazide-->2,4-Diphenyl-1,3-thiazole-5-carbaldehyde-->(2-Phenyl-1,3-thiazol-4-yl)methanol-->4-Methyl-2-phenyl-1,3-thiazole-5-carbonyl chloride-->4-Methyl-2-phenyl-1,3-thiazole-5-carboxylic acid-->2-Morpholin-4-yl-1,3-thiazol-4(5H)-one-->RARECHEM AL BI 1318-->FENTIAZAC-->Ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate-->2,4-Diphenylthiazole-->Pre-IBS-->(2-Phenyl-thiazol-4-yl)-acetic acid-->3-Methyl-thiobenzamide |
| Hazard Information | Back Directory | [Chemical Properties]
Yellowish-green crystalline powder | [Uses]
Thiobenzamide is useful for the preparation of amide and amidine adducts. It is also used to prepare 4-oxo-4H-chromene-3-carbothioic acid N-phenylamides. Further, it acts as a raw material in organic synthesis. | [Definition]
ChEBI: Thiobenzamide is a member of benzenes. | [Synthesis Reference(s)]
The Journal of Organic Chemistry, 41, p. 962, 1976 DOI: 10.1021/jo00868a013
Synthesis, p. 917, 1978 DOI: 10.1055/s-1978-24939 | [Safety Profile]
Poison by ingestion. Moderatelytoxic by intraperitoneal route. Questionable carcinogenwith experimental tumorigenic data. Mutation datareported. When heated to decomposition it emits verytoxic fumes of NOx and SOx. |
|
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J & K SCIENTIFIC LTD.
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18210857532 18210857532 |
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https://www.jkchemical.com |
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Alfa Aesar
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400-6106006 |
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http://chemicals.thermofisher.cn |
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Energy Chemical
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400-0056266 |
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www.energy-chemical.com |
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Aemon Chemical
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0086-755-86198205 |
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www.aemonchem.com |
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