Basic information
- Standard SMILES
N#CCCc1ccccn1- InChIKey
KWGZNYCFTYOQHV-UHFFFAOYSA-N- Molecular formula
- C8H8N2
- Average molar mass
- 132.16 g/mol
- Monoisotopic mass
- 132.06874826
Names & identifiers
- Preferred name
- 3-(2-Pyridinyl)Propanenitrile
- IUPAC
- 3-pyridin-2-ylpropanenitrile
- English name
- 2-Cyanoethylpyridine
- Molecular formula
- C8H8N2
- Molecular weight
- 132.16
Names & synonyms
3-(2-Pyridinyl)propanenitrileRefChem:491316107-044-035549-47-43-(pyridin-2-yl)propanenitrile3-pyridin-2-ylpropanenitrileMFCD066568172-Cyanoethylpyridine3-(2-pyridyl)propanenitrile2-Pyridinepropanenitrile2(2-Cyanoethyl)pyridine2-(2-Cyanoethyl)pyridine
Show more names
Albb-0052702-CYANOETHYL-PYRIDINE2-Cyanoethylpyridine ISO 9001：2015 REACH3-(2-pyridinyl)propanenitrile(SALTDATA: FREE)
A257002-(2-cyanoethyl)-pyridine3-(2-Pyridyl)propionitrile3-(2-Pyridinyl)propionitrileSCHEMBL2963211DTXSID20956934KWGZNYCFTYOQHV-UHFFFAOYSA-N2-(2-PYRIDYL)ETHYL CYANIDE
Database identifiers
- CAS
35549-47-4- PubChem CID
- 14687220
- DTXSID
DTXSID20956934- EC Number
- 107-044-0
- Nikkaji
- J3.806.353G
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 36.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 133
Physicochemical properties
- form
- solid
- InChI
- 1S/C8H8N2/c9-6-3-5-8-4-1-2-7-10-8/h1-2,4,7H,3,5H2
- InChIKey
- KWGZNYCFTYOQHV-UHFFFAOYSA-N
- SMILES
- N#CCCC1=NC=CC=C1
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- HazardClass
- IRRITANT
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers21 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
北京炎礼生物科技有限公司18600731423 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Young Lively PharminBlock Co.,Ltd18600731423 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
成都精致化诚生物科技有限公司028-37664989 15900794981 · [email protected]
谱尼生物医药科技（上海）有限公司021-021-64851999-6515-6515 13817808647 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
济南泺合医药技术有限公司86-0531-68658065 15726150375 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
苏州筑研客生物医药有限公司15190025787 18550797660 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
聿锦（天津）科技有限公司13370351217 kungfu1217@1 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
北京索美科医药科技有限公司13464564313 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
Related reactions
12 records
Linked notes
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