Basic information
- CAS
29181-50-8- Standard SMILES
N#Cc1ccnc(C#N)c1- InChIKey
HLAGQMFURMNTLW-UHFFFAOYSA-N- Molecular formula
- C7H3N3
- Average molar mass
- 129.12 g/mol
- Monoisotopic mass
- 129.03269711
Names & identifiers
- Preferred name
- 2,4-Pyridinedicarbonitrile
- IUPAC
- pyridine-2,4-dicarbonitrile
- English name
- Pyridine-2,4-dicarbonitrile
- Molecular formula
- C7H3N3
- Molecular weight
- 129.12
Names & synonyms
Pyridine-2,4-dicarbonitrile2,4-Pyridinedicarbonitrile2,4-DicyanopyridineHJ2X384UBJEINECS 249-492-0UNII-HJ2X384UBJDTXSID8067448RefChem:82644DTXCID5037949HLAGQMFURMNTLW-UHFFFAOYSA-N29181-50-8MFCD00014627
Show more names
Pyridin-2,4-dicarbonitril2,4-Pyridinedicarbonitrile 97%2,4-Pyridinedicarbonitrile ,97%5-(methylsulfonylmethyl)-2-oxolanone2,4-Pyridinedicarbonitrile(6CI,7CI,8CI,9CI)PYRIDINE-2,4-DICARBONITRILE ISO 9001：2015 REACH
Topiroxostat Impurity 27SCHEMBL995799SCHEMBL7170537SCHEMBL295981482,4-Pyridinedicarbonitrile, 97%SBB055735AKOS015892293AS-58697
Database identifiers
- CAS
29181-50-8- PubChem CID
- 120144
- DTXSID
DTXSID8067448- UNII
- HJ2X384UBJ
- EC Number
- 249-492-0
- Nikkaji
- J250.789G
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 60.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 203
Physicochemical properties
- Melting point
- 89 · 89-93 °C (lit.)
- Boiling point
- 261.8 · 261.8±20.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- -3.67 · -3.67±0.10(Predicted)
- form
- solid
- Appearance
- Off-white to pink Solid
- BRN
- 115936 · 115936
- InChI
- InChI=1S/C7H3N3/c8-4-6-1-2-10-7(3-6)5-9/h1-3H
- InChIKey
- HLAGQMFURMNTLW-UHFFFAOYSA-N
- SMILES
- C1(C#N)=NC=CC(C#N)=C1
- CAS DataBase Reference
- 29181 · 29181-50-8(CAS DataBase Reference)
- FDA UNII
- 2 X384UBJ · HJ2X384UBJ
- NIST Chemistry Reference
- 2 · 2,4-Dicyanopyridine(29181-50-8)
- EPA Substance Registry System
- 2 · 2,4-Pyridinedicarbonitrile (29181-50-8)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H317-H318-H335
- Precautionary statements
- 280 · P280-P301+P312+P330-P302+P352-P305+P351+P338+P310
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-37/38-41-43
- Safety Statements
- 26 · 26-36
- RIDADR
- 3276 · 3276
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- HS Code
- 29333990 · 29333990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (90.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (90.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (90.7%)；Eye Dam. 1 (90.7%)；STOT SE 3 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 3276
- hs_code
- 29333990
- risk_code
- 22-37/38-41-43
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn
- safety_code
- 26-36
- hazard_class
- 6.1
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H317-H318-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
- Precautionary statements
- P280-P301+P312+P330-P302+P352-P305+P351+P338+P310
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,4-Pyridinedicarbonitrile: INACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers87 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
Syntechem Co.,Ltd[email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [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]
上海钰康生物科技有限公司18939844854 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
北京伊诺凯科技有限公司15652467323 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
吉林中科研伸科技有限公司0431-80534353 19917294565 · [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]
成都赛诺宁科技有限公司28-87999436 02887999436 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
河南普赛化工产品有限公司0371-63357898 · [email protected]
广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
深圳卓越生物医药科技有限公司0755-26050679 18318671572 · [email protected]
上海大然化学有限公司021-64478606 15900664856 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
山东佰隆医药有限公司15562090112 · [email protected]
南京科晟祥科技有限公司18252089365 · [email protected]
南通市苏北化工原料有限公司0513-85290972 18762756250 · [email protected]
上海炎泽化工有限公司15345144255 19901447308 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
郑州安慕斯化工产品有限公司15981811963 18737195735 · [email protected]
山东弗珍化学科技有限公司13146841504 · [email protected]
郑州艾克姆化工有限公司0371-0371-55629727 13323845623 · [email protected]
金锦乐(湖南)化学有限公司18001959627(微信同号) 18001959627 · [email protected]
南京麦瑞米生物技术有限公司025-87782433 18021532344 · [email protected]
CHEMSOON CO.,LTD.+8613761723174 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
吉林中科研伸科技有限公司0431-80534350 15044023330 · [email protected]
巴师傅（上海）生物医药科技有限公司60662071 18117346937 · [email protected]
Related reactions
6 records
Compound notes
Loading…