CAS 4411-80-7 6,6'-Bi-2-picoline (HCID 20445)

Names & identifiers

Preferred name: 6,6'-Bi-2-picoline
IUPAC: 2-methyl-6-(6-methyl-2-pyridinyl)pyridine
English name: 6,6'-Dimethyl-2,2'-dipyridyl
Molecular formula: C12H12N2
Molecular weight: 184.24

Names & synonyms

6,6'-Dimethyl-2,2'-bipyridine4411-80-76,6'-Dimethyl-2,2'-bipyridyl6,6'-Bi-2-picoline6,6'-Dimethyl-2,2'-dipyridyl2,2'-BIPYRIDINE, 6,6'-DIMETHYL-NSC 4705EINECS 224-566-5AF3HZ0ZAN4BRN 0128972NSC-4705DTXSID30196041

Show more names

Bipicoline6,6’-dimethyl-2’-bipyridineAKOS BBS-000001876,6''-BI-2-PICOLINE 98+%6,6-DIMETHYL-2,2-DIPYRIDYL6'-DiMethyl-2,2'-dipyridyl

RefChem:538445DTXCID40118532224-566-5InChI=1/C12H12N2/c1-9-5-3-7-11(13-9)12-8-4-6-10(2)14-12/h3-8H,1-2H2-methyl-6-(6-methylpyridin-2-yl)pyridineMFCD000597766,6'-Di-2-picolylCHEMBL2205806

Database identifiers

CAS: 4411-80-7
PubChem CID: 20445
DTXSID: DTXSID30196041
ChEMBL: CHEMBL2205806
UNII: AF3HZ0ZAN4
EC Number: 224-566-5
Nikkaji: J23.946A

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 161

Physicochemical properties

Melting point: 93 · 93-95 °C(lit.)
Boiling point: 286 °C · 286 °C
Density: 1.06 · 1.060±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
solubility: almost transparency in Methanol
form: powder to crystaline
pka: 5.2 · 5.20±0.22(Predicted)
color: White to Light yellow
InChI: InChI=1S/C12H12N2/c1-9-5-3-7-11(13-9)12-8-4-6-10(2)14-12/h3-8H,1-2H3
InChIKey: OHJPGUSXUGHOGE-UHFFFAOYSA-N
SMILES: C1(C2=NC(C)=CC=C2)=NC(C)=CC=C1
CAS DataBase Reference: 4411 · 4411-80-7(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 3 HZ0ZAN4 · AF3HZ0ZAN4
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
RTECS: 1767000 · DW1767000
HS Code: 29333990 · 29333990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
rtecs: DW1767000
hs_code: 29333990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 2 items

Uses6,6′-dimethyl-2,2′-bipyridyl (6,6′-Dimethyl-2,2′-bipyridine)may be used in the synthesis of novel oligobipyridine ligands.

General Description6,6′-dimethyl-2,2′-bipyridyl (dmbp) also known as 6,6′-dimethyl-2,2′-bipyridine, is commonly used as a ligand to form complexes with ions such as Pd(II), Pt(II), Cu(II), Co(II) and Zn(II). The crystalline structure of dmbp has been investigated. Its synthesis from 6-bromopicoline has been reported.

Upstream & downstream products

Upstream raw materials

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]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

上海博尼麦德新材料科技有限公司13764849732 13764849732

INTATRADE GmbH+49 3493/605464 · [email protected]

Related reactions

339 records

New reaction record

HRID 59600As reactantuspto-grants-2016_09

HRID 1129856As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1298160As catalystHigh-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions

HRID 1298161As catalystHigh-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions

HRID 1298162As catalystHigh-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions

HRID 1298163As catalystHigh-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions

HRID 1298164As catalystHigh-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions

HRID 1298165As catalystHigh-throughput exploration of 50,688 Pd-, Ni- and Cu-catalysed C–N coupling reactions

Compound notes

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Basic information