ChemicalBook--->CAS DataBase List--->1003-31-2

1003-31-2

1003-31-2 Structure

1003-31-2 Structure
IdentificationMore
[Name]

2-Thiophenecarbonitrile
[CAS]

1003-31-2
[Synonyms]

2-CYANOTHIOPHENE
2-THENYLCYANIDE
2-THIOPHENECARBONITRILE
THIOPHENE-2-CARBONITRILE
2-THIOPHENECARBONITRILE 99%
2-Cyanothiophene, Thiophene-2-carbonitrile
2-Thienonitrile
2-Thienylcarbonitrile
2-Thenonitrile
2-Thienyl cyanide
[EINECS(EC#)]

213-706-0
[Molecular Formula]

C5H3NS
[MDL Number]

MFCD00005416
[Molecular Weight]

109.15
[MOL File]

1003-31-2.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to yellow liquid
[Melting point ]

125-134 °C (decomp)
[Boiling point ]

192 °C(lit.)
[density ]

1.172 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.563(lit.)
[Fp ]

128 °F
[storage temp. ]

Flammables area
[form ]

Liquid
[color ]

Clear colorless to yellow
[Specific Gravity]

1.172
[Water Solubility ]

Slightly miscible with water.
[BRN ]

107035
[Exposure limits]

NIOSH: IDLH 25 mg/m3
[InChI]

1S/C5H3NS/c6-4-5-2-1-3-7-5/h1-3H
[InChIKey]

CUPOOAWTRIURFT-UHFFFAOYSA-N
[SMILES]

N#Cc1cccs1
[LogP]

1.270
[CAS DataBase Reference]

1003-31-2(CAS DataBase Reference)
[NIST Chemistry Reference]

2-Thiophenecarbonitrile(1003-31-2)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Corrosion (GHS05)Exclamation Mark (GHS07)
GHS02,GHS05,GHS07
[Signal word ]

Danger
[Hazard statements ]

H226-H302-H315-H318-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
[Hazard Codes ]

Xn,Xi,F
[Risk Statements ]

R10:Flammable.
R22:Harmful if swallowed.
R37/38:Irritating to respiratory system and skin .
R41:Risk of serious damage to eyes.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S39:Wear eye/face protection .
S36/37:Wear suitable protective clothing and gloves .
S16:Keep away from sources of ignition-No smoking .
S36:Wear suitable protective clothing .
[RIDADR ]

UN 1993 3/PG 3
[WGK Germany ]

3
[Hazard Note ]

Harmful
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29349990
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Dam. 1
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

2-Amidinothiophene hydrochloride-->N'-Hydroxy-2-thiophenecarboximidamide-->2,5-bis(2-ethylhexyl)-3,6-di(thiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione-->2-(2-Thienyl)pyridine-->5-Cyanothiophene-2-boronic acid-->2-Thienylmethylamine hydrochloride-->N,N'-bis(dodecyl)-3,6-dithienyl-1,4-diketopyrrolo[3,4-c]pyrrole-->Ethylthiophene-2-carboximidoatehydrochloride-->5-Azetidin-3-yl-3-(2-thienyl)-1,2,4-oxadiazole hydrochloride-->6-(Thiophen-2-yl)-1,3,5-triazine-2,4-diamine
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Cyanothiophene(1003-31-2).msds
Hazard InformationBack Directory
[Chemical Properties]

clear colorless to yellow liquid
[Uses]

2-Thiophenecarbonitrile (2-Cyanothiophene) was used in the preparation of thiaplatinacycles. It was also used in the synthesis of 2,2′-thienylpyrroles.
[Synthesis Reference(s)]

Chemical and Pharmaceutical Bulletin, 26, p. 2838, 1978 DOI: 10.1248/cpb.26.2838
Spectrum DetailBack Directory
[Spectrum Detail]

2-Thiophenecarbonitrile(1003-31-2)1HNMR
2-Thiophenecarbonitrile(1003-31-2)13CNMR
2-Thiophenecarbonitrile(1003-31-2)IR
2-Thiophenecarbonitrile(1003-31-2)FT-IR
2-Thiophenecarbonitrile(1003-31-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Thiophenecarbonitrile, 97%(1003-31-2)
[Alfa Aesar]

Thiophene-2-carbonitrile, 99%(1003-31-2)
[Sigma Aldrich]

1003-31-2(sigmaaldrich)
[TCI AMERICA]

2-Cyanothiophene,>98.0%(GC)(1003-31-2)
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