Thiobenzamide
Names
[ CAS No. ]:
2227-79-4
[ Name ]:
Thiobenzamide
[Synonym ]:
Benzenecarbothioamide
EINECS 218-765-6
phenylthioamide
MFCD00008060
Benzamide,thio
Benzenecarbimidothioic acid
aminophenylmethane-1-thione
Thiobenzamide
Benzenecarboximidothioic acid
Benzothioamide
Benzothiamide
Chemical & Physical Properties
[ Density]:
1.2±0.1 g/cm3
[ Boiling Point ]:
245.0±23.0 °C at 760 mmHg
[ Melting Point ]:
113-117 °C(lit.)
[ Molecular Formula ]:
C7H7NS
[ Molecular Weight ]:
137.202
[ Flash Point ]:
102.0±22.6 °C
[ Exact Mass ]:
137.029922
[ PSA ]:
58.11000
[ LogP ]:
1.49
[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C
[ Index of Refraction ]:
1.653
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- CV5860000
- CHEMICAL NAME :
- Benzamide, thio-
- CAS REGISTRY NUMBER :
- 2227-79-4
- LAST UPDATED :
- 199806
- DATA ITEMS CITED :
- 7
- MOLECULAR FORMULA :
- C7-H7-N-S
- MOLECULAR WEIGHT :
- 137.21
- WISWESSER LINE NOTATION :
- ZYR&US
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 95 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 6300 mg/kg/15W-C
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - multiple effects Liver - tumors
- TYPE OF TEST :
- TD - Toxic dose (other than lowest)
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 13 gm/kg/38W-C
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - tumors
- TYPE OF TEST :
- TD - Toxic dose (other than lowest)
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 13300 mg/kg/38W-C
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - tumors
MUTATION DATA
- TEST SYSTEM :
- Rodent - mouse
- DOSE/DURATION :
- 180 umol/kg
- REFERENCE :
- MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 192,141,1987
Safety Information
[ Symbol ]:
GHS06
[ Signal Word ]:
Danger
[ Hazard Statements ]:
H301
[ Precautionary Statements ]:
P301 + P310
[ Personal Protective Equipment ]:
Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges
[ Hazard Codes ]:
Xn:Harmful;
[ Risk Phrases ]:
R25
[ Safety Phrases ]:
S45
[ RIDADR ]:
UN 2811 6.1/PG 3
[ WGK Germany ]:
3
[ RTECS ]:
CV5860000
[ Packaging Group ]:
III
[ Hazard Class ]:
6.1
[ HS Code ]:
2930909090
Synthetic Route
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%
Articles
Eur. J. Med. Chem. 45 , 790-4, (2010)
6/6,7-Substituted-3-formylchromones (8a-g) were reacted with 2 equivalents thiobenzamide (9) in refluxing toluene to furnish substituted-3-(5-phenyl-3H-[1,2,4]dithiazol-3-yl)chromen-4-ones (10a-g) in ...
Potent inhibition of alcohol self-administration in alcohol-preferring rats by a κ-opioid receptor antagonist.J. Pharmacol. Exp. Ther. 350(1) , 171-80, (2014)
A substituted aryl amide derivative of 6-naltrexamine--17-cyclopropylmethyl-3,14β-dihydroxy-4,5α-epoxy-6β-[(4'-trimethylfluoro)benzamido]morphinan-hydrochloride--(compound 5), previously shown to be a...
Facile synthesis of nitriles via manganese oxide promoted oxidative dehydrosulfurization of primary thioamides.Chem. Commun. (Camb.) 48(91) , 11247-9, (2012)
In the presence of manganese oxides, dehydrosulfurization of various kinds of primary thioamides including aromatic, heterocyclic, and aliphatic ones efficiently proceeded to give the corresponding ni...