Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2(3H)-Benzoxazolethione,7-chloro- |
EINECS | N/A |
CAS No. | 51793-93-2 | Density | 1.57 g/cm3 |
PSA | 64.83000 | LogP | 2.76990 |
Solubility | N/A | Melting Point |
252-256 °C(lit.) |
Formula | C7H4ClNOS | Boiling Point | 286.7 °C at 760 mmHg |
Molecular Weight | 185.634 | Flash Point | 127.2 °C |
Transport Information | N/A | Appearance | light brown powder |
Safety | 26-36 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
2-Benzoxazolethiol,7-chloro- (6CI);7-Chloro-2-mercaptobenzoxazole;NSC 77358; |
Article Data | 5 |
2-amino-6-chlorophenol
potassium ethyl xanthogenate
7-chlorobenzo[d]oxazole-2-thiol
Conditions | Yield |
---|---|
In ethanol Heating; |
Conditions | Yield |
---|---|
With potassium hydroxide In ethanol Heating; |
2-chloro-6-nitrophenol
7-chlorobenzo[d]oxazole-2-thiol
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: H2 / Pt-C / ethyl acetate 2: KOH / ethanol / Heating View Scheme |
3-chloro-1-(pyrrolidin-1-yl)propan-1-one
7-chlorobenzo[d]oxazole-2-thiol
Conditions | Yield |
---|---|
With caesium carbonate In acetonitrile at 100℃; for 1h; Microwave irradiation; | 42% |
7-chlorobenzo[d]oxazole-2-thiol
2,7-Dichloro-benzooxazole
Conditions | Yield |
---|---|
With phosphorus pentachloride In benzene for 2h; Heating; | |
With phosphorus pentachloride; trichlorophosphate at 100℃; |
Conditions | Yield |
---|---|
In toluene Heating; |
7-chlorobenzo[d]oxazole-2-thiol
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: POCl3; PCl5 / 100 °C 2: DIEA / dimethylformamide / 0 - 20 °C View Scheme |
7-chlorobenzo[d]oxazole-2-thiol
(S)-2-(7-Chloro-benzooxazol-2-ylamino)-3-cyclohexyl-propionic acid
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: POCl3; PCl5 / 100 °C 2: DIEA / dimethylformamide / 0 - 20 °C 3: aq. LiOH / dioxane View Scheme |
7-chlorobenzo[d]oxazole-2-thiol
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1: POCl3; PCl5 / 100 °C 2: DIEA / dimethylformamide / 0 - 20 °C 3: aq. LiOH / dioxane 4: DIEA; HATU / CH2Cl2 View Scheme |
7-chlorobenzo[d]oxazole-2-thiol
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1: POCl3; PCl5 / 100 °C 2: DIEA / dimethylformamide / 0 - 20 °C 3: aq. LiOH / dioxane 4: HATU; DIEA / CH2Cl2 View Scheme |
The 2(3H)-Benzoxazolethione,7-chloro-, with the IUPAC name 7-chloro-1,3-benzoxazole-2(3H)-thione, is light brown powder. With the molecular formula of C7H4ClNOS, its product categories are Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Oxazoles. The CAS registry number of this chemical is 51793-93-2. Additionally, it should be sealed in the cool and dry place.
Other characteristics of the 2(3H)-Benzoxazolethione,7-chloro- can be summarised as followings: (1)ACD/LogP: 2.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.59; (4)ACD/LogD (pH 7.4): 2.59; (5)ACD/BCF (pH 5.5): 54.41; (6)ACD/BCF (pH 7.4): 54.35; (7)ACD/KOC (pH 5.5): 608.17; (8)ACD/KOC (pH 7.4): 607.53; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 44.56 Å2; (13)Index of Refraction: 1.723; (14)Molar Refractivity: 46.66 cm3; (15)Molar Volume: 117.7 cm3; (16)Polarizability: 18.49×10-24cm3; (17)Surface Tension: 73.5 dyne/cm; (18)Density: 1.57 g/cm3; (19)Flash Point: 127.2 °C; (20)Enthalpy of Vaporization: 52.58 kJ/mol; (21)Boiling Point: 286.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0026 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: Clc2cccc1c2OC(=S)N1
2.InChI: InChI=1/C7H4ClNOS/c8-4-2-1-3-5-6(4)10-7(11)9-5/h1-3H,(H,9,11)
3.InChIKey: XXRDNTGJMQMSLW-UHFFFAOYAR