Products Categories
Basic Information
| CAS No.: | 13781-53-8 |
|---|---|
| Name: | 3-Cyanomethylthiophene |
| Article Data: | 12 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H5NS |
| Molecular Weight: | 123.178 |
| Synonyms: | 3-Cyanomethylthiophene;3-Thienylacetonitrile; |
| EINECS: | 237-433-1 |
| Density: | 1.171 g/cm3 |
| Boiling Point: | 243.7 °C at 760 mmHg |
| Flash Point: | 92.4 °C |
| Appearance: | clear yellow to brown liquid |
| Hazard Symbols: |
 Xn,  T
|
| Risk Codes: | 20/21/22-36/37/38-23/24/25 |
| Safety: | 26-36/37-45-36/37/39 |
| Transport Information: | UN 3276 6.1/PG 2 |
| PSA: | 52.03000 |
| LogP: | 1.81418 |
Related products
- 144851-82-1METHYL2-AMINO-3-FLUOROBENZOATE
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 173606-50-3BOC-10-AMINODECANOIC ACID
- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
Synthetic route
Conditions
| Conditions | Yield |
|---|---|
| With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; bis(η3-allyl-μ-chloropalladium(II)) In 1,3,5-trimethyl-benzene at 20 - 140℃; for 5.16667h; Inert atmosphere; Sealed tube; chemoselective reaction; | 78% |
Conditions
| Conditions | Yield |
|---|---|
| With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; palladium diacetate; sodium carbonate In 1,4-dioxane; water at 100℃; for 12h; Inert atmosphere; Sealed tube; | 53% |
| With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; palladium diacetate; sodium carbonate In 1,4-dioxane; water at 60℃; for 12h; Inert atmosphere; Sealed tube; |
Conditions
| Conditions | Yield |
|---|---|
| tetrabutylammomium bromide In dichloromethane; water Heating / reflux; | 44% |
| With ethanol |
Conditions
| Conditions | Yield |
|---|---|
| With N-benzyl-N,N,N-triethylammonium chloride In water | 28% |
Conditions
| Conditions | Yield |
|---|---|
| With ethanol |
- 498-62-4
3-thiophene carboxaldehyde
- 38622-91-2, 36635-61-7
[(p-methylphenyl)sulfonylmethyl]isonitrile
- 13781-53-8
(thiophen-3-yl)acetonitrile
Conditions
| Conditions | Yield |
|---|---|
| With potassium tert-butylate 1.) THF, -20 deg C, 30 min, 2.) THF, -20 deg C, 30 min; Yield given. Multistep reaction; |
- 81344-59-4
Methyl 2-cyano-2-(3-thienyl)acetate
- 13781-53-8
(thiophen-3-yl)acetonitrile
Conditions
| Conditions | Yield |
|---|---|
| With water; triethylamine Product distribution; |
- 616-44-4
3-Methylthiophene
- 13781-53-8
(thiophen-3-yl)acetonitrile
Conditions
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile) / tetrachloromethane / 1 h / Reflux 2: tetrabutyl ammonium fluoride / acetonitrile; tetrahydrofuran / 0 - 20 °C / Inert atmosphere View Scheme | |
| Multi-step reaction with 2 steps 1: N-Bromosuccinimide; dibenzoyl peroxide 2: N-benzyl-N,N,N-triethylammonium chloride / water View Scheme |
- 34846-44-1
3-Bromomethylthiophene
- 7677-24-9
trimethylsilyl cyanide
- 13781-53-8
(thiophen-3-yl)acetonitrile
Conditions
| Conditions | Yield |
|---|---|
| With tetrabutyl ammonium fluoride In tetrahydrofuran; acetonitrile at 0 - 20℃; Inert atmosphere; | 4.06 g |
- 13781-53-8
(thiophen-3-yl)acetonitrile
- 68-12-2, 33513-42-7
N,N-dimethyl-formamide
Conditions
| Conditions | Yield |
|---|---|
| With 2,4-dichlorophenoxyacetic acid dimethylamine In toluene Heating; | 100% |
Post a RFQ
1
What can I do for you?
Get Best Price
Get Best Price for 13781-53-8
3-Cyanomethylthiophene
Chemistry
IUPAC Name: 2-thiophen-3-ylacetonitrile
The MF of 3-Thiopheneacetonitrile(13781-53-8): C6H5NS
The MW of 3-Thiopheneacetonitrile(13781-53-8): 123.18
EINECS: 237-433-1
bp: 124-125 °C16 mm Hg(lit.)
density: 1.08 g/mL at 25 °C(lit.)
refractive index: n20/D 1.545(lit.)
Fp: >230 °F
Appearance: Clear brown liquid.
Categories: Aromatic Nitriles;Thiophene&Benzothiophene;Nitriles;Thiophens
Synonyms: THIOPHENE-3-ACETONITRILE;3-Thienylacetonitrile;LABOTEST-BB LT00848266;3-THIOPHENEACETONITRILE;3-Cyanomethylthiophene;thiophen-3-acetonitrile;2,3-thiopheneacetonitrile;THIEN-3-YLACETONITRILE
The Structure of 3-Thiopheneacetonitrile(13781-53-8):
The MF of 3-Thiopheneacetonitrile(13781-53-8): C6H5NS
The MW of 3-Thiopheneacetonitrile(13781-53-8): 123.18
EINECS: 237-433-1
bp: 124-125 °C16 mm Hg(lit.)
density: 1.08 g/mL at 25 °C(lit.)
refractive index: n20/D 1.545(lit.)
Fp: >230 °F
Appearance: Clear brown liquid.
Categories: Aromatic Nitriles;Thiophene&Benzothiophene;Nitriles;Thiophens
Synonyms: THIOPHENE-3-ACETONITRILE;3-Thienylacetonitrile;LABOTEST-BB LT00848266;3-THIOPHENEACETONITRILE;3-Cyanomethylthiophene;thiophen-3-acetonitrile;2,3-thiopheneacetonitrile;THIEN-3-YLACETONITRILE
The Structure of 3-Thiopheneacetonitrile(13781-53-8):
Safety Profile
Hazard Codes: 
Xn,
T
Risk Statements: 20/21/22-36/37/38-23/24/25
20/21/22: Harmful by inhalation, in contact with skin and if swallowed
36/37/38: Irritating to eyes, respiratory system and skin
23/24/25: Toxic by inhalation, in contact with skin and if swallowed
Safety Statements: 26-36/37-45-36/37/39
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37: Wear suitable protective clothing and gloves
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
36/37/39: Wear suitable protective clothing, gloves and eye/face protection
RIDADR: UN 3276 6.1/PG 2
WGK Germany: 3
PackingGroup: III
Xn,T Risk Statements: 20/21/22-36/37/38-23/24/25
20/21/22: Harmful by inhalation, in contact with skin and if swallowed
36/37/38: Irritating to eyes, respiratory system and skin
23/24/25: Toxic by inhalation, in contact with skin and if swallowed
Safety Statements: 26-36/37-45-36/37/39
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37: Wear suitable protective clothing and gloves
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
36/37/39: Wear suitable protective clothing, gloves and eye/face protection
RIDADR: UN 3276 6.1/PG 2
WGK Germany: 3
PackingGroup: III
Specification
1. First Aid Measures
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Eyes:
Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
2. Handling and Storage
Storage:
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Eyes:
Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
2. Handling and Storage
Storage:
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.