Basic information
- CAS
20893-30-5- Standard SMILES
N#CCc1cccs1- InChIKey
CLSHQIDDCJTHAJ-UHFFFAOYSA-N- Molecular formula
- C6H5NS
- Average molar mass
- 123.18 g/mol
- Monoisotopic mass
- 123.01427016
Overview
2-thienylacetonitrile is a nitrile that is acetonitrile where one of the methyl hydrogens is substituted by a 2-thienyl group. It is a nitrile and a member of thiophenes. It is functionally related to an acetonitrile.
Names & identifiers
- Preferred name
- 2-Thienylacetonitrile
- IUPAC
- 2-thiophen-2-ylacetonitrile
- English name
- 2-Thiopheneacetonitrile
- Molecular formula
- C6H5NS
- Molecular weight
- 123.18
Names & synonyms
2-Thiopheneacetonitrile20893-30-52-ThienylacetonitrileThiophene-2-acetonitrile2-(Cyanomethyl)thiophene2-cyanomethylthiophenethiophen-2-yl-acetonitrileDTXSID5066663CHEBI:27382EINECS 244-104-6AI3-08540EC 244-104-6
Show more names
thiophen-2-acetonitrile2-(2-Thienyl)acetonitrile2-Thiopheneacetonitrile 97%2-Thiopheneacetonitrile,96%Thiophene-2-acetonitrile >
RefChem:483737DTXCID5036395244-104-62-(Thiophen-2-yl)acetonitrile2-thiophen-2-ylacetonitrileC6H5NSThien-2-ylacetonitrileMFCD00005453
Database identifiers
- CAS
20893-30-5- PubChem CID
- 72880
- DTXSID
DTXSID5066663- ChEBI
CHEBI:27382- UNII
- 3CSN23QD57
- EC Number
- 244-104-6
- Nikkaji
- J25.372C
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 113
Physicochemical properties
- Melting point
- 50 · 50-51 °C
- Boiling point
- 115 · 115-120 °C/22 mmHg (lit.) 235-238 °C (lit.)
- Density
- 1.157 g/mL · 1.157 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.542(lit.)
- Flash point
- 215 °F · 215 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- clear liquid
- color
- Colorless to Light orange to Yellow
- Specific Gravity
- 1.157 · 1.157
- BRN
- 106960 · 106960
- InChI
- InChI=1S/C6H5NS/c7-4-3-6-2-1-5-8-6/h1-2,5H,3H2
- InChIKey
- CLSHQIDDCJTHAJ-UHFFFAOYSA-N
- SMILES
- C1(CC#N)SC=CC=1
- CAS DataBase Reference
- 20893 · 20893-30-5(CAS DataBase Reference)
- NIST Chemistry Reference
- 2 · 2-Thiopheneacetonitrile(20893-30-5)
- EPA Substance Registry System
- 2 · 2-Thiopheneacetonitrile (20893-30-5)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn,Xi,T
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36/37-23-36
- RIDADR
- 3276 · UN 3276 6.1/PG 3
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- HS Code
- 29349990 · 29349990
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- REACH Registrations
- Active
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (69.9%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P320, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 153 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 14-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/12193
Hazard Classes and CategoriesAcute Tox. 3 (69.9%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3276 6.1/PG 3
- hs_code
- 29349990
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi,T
- hazard_note
- Irritant
- safety_code
- 26-36/37-23-36
- hazard_class
- 6.1
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Thiopheneacetonitrile: ACTIVE
Applications
Uses2-Thiopheneacetonitrile was used as reagent during the synthesis of monodisperse Au/Au@polythiophene core/shell nanospheres.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
青岛司臣生物科技有限公司15066846586 15712728865 13713086161 15066846586 · [email protected]
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河北展药生物科技有限公司15369953316 +8615369953316 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
衢州明锋化工有限公司0570-3062502 13819002126;13819008176 · [email protected]
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Syntechem Co.,Ltd[email protected]
江苏普乐司生物科技有限公司0513-66017706 18551496367 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
苏州启航生物科技有限公司18662190603;18151111370 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
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TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
越林试剂021-62960152 · [email protected]
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苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
北京环宇世纪化学科技有限公司hysj_bj.com
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
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成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
上海嵩爰化工科技有限公司010-1234567 18521000990 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
潍坊市前进精细化工有限公司18753684562 · [email protected]
上海裕英生物医药科技有限公司021-50158063 · [email protected]
诺尔凯立科技有限公司86-(0)21-31261262 373522135 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
上海珈得尔化学技术有限公司021-4007787-550 400-7787-550 · [email protected]
上海岚克医药科技发展有限公司0086-21-58956006
上海西陇生化科技有限公司021-52907766-8042
上海前衍生物科技有限公司02781293128 · [email protected]
Additional notes
DefinitionChEBI: 2-thienylacetonitrile is a nitrile that is acetonitrile where one of the methyl hydrogens is substituted by a 2-thienyl group. It is a nitrile and a member of thiophenes. It derives from an acetonitrile.
Related reactions
43 records
Compound notes
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