Basic information
- CAS
40468-86-8- Standard SMILES
C(=Nc1ccccc1)c1ccccn1- InChIKey
CSGRSRYPHUABSU-UHFFFAOYSA-N- Molecular formula
- C12H10N2
- Average molar mass
- 182.22 g/mol
Names & identifiers
- Preferred name
- trans-N-(2-Pyridylmethylene)aniline
- IUPAC
- N-phenyl-1-pyridin-2-ylmethanimine
- English name
- (E)-N-((Pyridin-2-yl)methylene)benzenamine
- Molecular formula
- C12H10N2
- Molecular weight
- 182.22
Names & synonyms
trans-N-(2-Pyridylmethylene)aniline40468-86-8RefChem:898904625-245-6N-phenyl-1-pyridin-2-ylmethanimine(E)-N-(Pyridin-2-ylmethylene)aniline88785-71-1Pyridine, 2-(N-phenylformimidoyl)-Benzenamine, N-(2-pyridinylmethylene)-N-(2-Pyridylmethylene)aniline2-Picolylideneaniline2-Pyridinal-phenylimin
Show more names
N-((Pyridin-2-yl)methylene)benzenamine(E)-N-(2-Pyridinylmethylene)benzenaminetrans-N-(2-Pyridylmethylene)aniline 97%(E)-N-phenyl-1-(pyridin-2-yl)methanimine(E)-N-((Pyridin-2-yl)methylene)benzenamineBenzenamine, N-(2-pyridinylmethylene)-, (E)-
2-pyridylmethylideneanilineSCHEMBL301198SCHEMBL2646403CHEMBL3219617SCHEMBL13754809SCHEMBL30529897CSGRSRYPHUABSU-GXDHUFHOSA-NN-[2-Pyridinylmethylidene]aniline
Database identifiers
- CAS
40468-86-8- PubChem CID
- 499408
- ChEMBL
CHEMBL3219617- EC Number
- 625-245-6
- Nikkaji
- J119.596D、J2.369.507C
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Melting point
- 35 · 35-40 °C
- Boiling point
- 97 · 97-101/0.1 mmHg
- Density
- 1.02 · 1.02±0.1 g/cm3(Predicted)
- Flash point
- 110 °C · 110 °C
- pka
- 2.47 · 2.47±0.50(Predicted)
- form
- solid
- InChI
- 1S/C12H10N2/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13-12/h1-10H/b14-10+
- InChIKey
- CSGRSRYPHUABSU-GXDHUFHOSA-N
- SMILES
- c1ccc(cc1)\N=C\c2ccccn2
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
- target organs
- Respiratory system
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 3
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36/37
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers13 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [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]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
烟台博运生物科技有限公司13793517650 13793517650 · [email protected]
Aladdin Scientific[email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
2 records
Compound notes
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